Oja, M.; Sild, S.; Piir, G.; Maran, U. Intrinsic aqueous solubility: mechanistically transparent data-driven modeling of drug substances. Pharmaceutics 2022, 14, 2248.

255 compounds | Property logS0: Intrinsic aqueous solubility from single source [log(mol/L)]

ID	Name	logS0	Ref	Details
t1	Amoxicillin	-1.97	[1]	View
t2	Nitrofurantoin	-3.29	[1]	View
t3	Bifonazole	-6.01	[1]	View
t4	Acetaminophen	-1.03	[1]	View
t5	Sulfacetamide	-1.52	[1]	View
t6	Cephalothin	-2.94	[1]	View
t7	Ketoprofen	-3.23	[1]	View
t8	Fenoprofen	-3.7	[1]	View
t9	Carprofen	-4.7	[1]	View
t10	Nadolol	-1.63	[1]	View
t11	Thymol	-2.19	[1]	View
t12	Ibuprofen	-3.97	[1]	View
t13	Fluvastatin	-3.87	[1]	View
t14	Alprenolol	-2.66	[1]	View
t15	Propranolol	-3.49	[1]	View
t16	Atenolol	-1.25	[1]	View
t17	Diethylstilbestrol	-4.43	[1]	View
t18	Mefenamic Acid	-6.54	[1]	View
t19	Paliperidone	-4.31	[1]	View
t20	Meclofenamic Acid	-6.56	[1]	View
t21	Sulfamethazine	-2.73	[1]	View
t22	Meclizine	-6.48	[1]	View
t23	Gliclazide	-4.2	[1]	View
t24	Sulfamerazine	-3.12	[1]	View
t25	Metronidazole	-1.22	[1]	View
t26	Sulfamethizole	-2.78	[1]	View
t27	Phenobarbital	-2.29	[1]	View
t28	Glimepiride	-6.44	[1]	View
t29	Pyrimethamine	-4.11	[1]	View
t30	Acebutolol	-2.68	[1]	View
t31	Phenylbutazone	-4.39	[1]	View
t32	Bupivacaine	-3.08	[1]	View
t33	Tolbutamide	-3.5	[1]	View
t34	Dibucaine	-4.2	[1]	View
t35	Pramoxine	-3.02	[1]	View
t36	Lidocaine	-1.87	[1]	View
t37	Metoclopramide	-3.58	[1]	View
t38	Nalidixic Acid	-3.61	[1]	View
t39	Enrofloxacin	-3.18	[1]	View
t40	Benzocaine	-2.33	[1]	View
t41	Chlorzoxazone	-2.64	[1]	View
t42	Trazodone	-3.19	[1]	View
t43	Oxytetracycline	-3.09	[1]	View
t44	Loperamide	-7.1	[1]	View
t45	Chlorpheniramine	-2.6	[1]	View
t46	Amitriptyline	-4.55	[1]	View
t47	Chlorpromazine	-5.55	[1]	View
t48	Imipramine	-4.15	[1]	View
t49	Orphenadrine	-3.17	[1]	View
t50	Rosiglitazone	-5.22	[1]	View
t51	Sertraline	-4.83	[1]	View
t52	Atropine	-2	[1]	View
t53	Piroxicam	-4.73	[1]	View
t54	Tolmetin	-4.11	[1]	View
t55	Hexobarbital	-2.67	[1]	View
t56	Cyproheptadine	-5	[1]	View
t57	Olanzapine	-4.23	[1]	View
t58	Prochlorperazine	-4.75	[1]	View
t59	Ranitidine	-2.5	[1]	View
t60	Glibenclamide	-6.41	[1]	View
t61	Carvedilol	-4.46	[1]	View
t62	Trimethoprim	-2.95	[1]	View
t63	Verapamil	-4.07	[1]	View
t64	Metoprolol	-1.22	[1]	View
t65	Famotidine	-2.65	[1]	View
t66	Guanine	-4.43	[1]	View
t67	Bendroflumethiazide	-4.19	[1]	View
t68	Hydroflumethiazide	-2.97	[1]	View
t69	Furosemide	-4.18	[1]	View
t70	Trichlormethiazide	-3.38	[1]	View
t71	Phenytoin	-3.86	[1]	View
t72	Flufenamic Acid	-5.35	[1]	View
t73	Salicylic Acid	-1.93	[1]	View
t74	4-hydroxybenzoic acid	-1.46	[1]	View
t75	2-Naphthoic Acid	-3.77	[1]	View
t76	Benzoic Acid	-1.61	[1]	View
t77	2-Phthalic Acid	-1.55	[1]	View
t78	Niflumic Acid	-4.11	[1]	View
t79	4-Iodophenol	-1.72	[1]	View
t80	1-Naphthol	-1.98	[1]	View
t81	Dipyridamole	-5.16	[1]	View
v1	Acetazolamide	-2.44	[1]	View
v5	Aripiprazole	-6.43	[1]	View
v10	Benzthiazide	-4.86	[1]	View
v20	Chlorpropamide	-3.21	[1]	View
v23	Cimetidine	-1.69	[1]	View
v24	Ciprofloxacin	-3.6	[1]	View
v32	Diazoxide	-3.36	[1]	View
v33	Diclofenac	-5.4	[1]	View
v35	Difloxacin	-3.6	[1]	View
v36	Diltiazem	-3.05	[1]	View
v46	Flumequine	-3.8	[1]	View
v47	Flurbiprofen	-4.05	[1]	View
v50	Glipizide	-5.51	[1]	View
v52	Haloperidol	-5.52	[1]	View
v58	Maprotiline	-4.75	[1]	View
v61	Naproxen	-4.41	[1]	View
v66	Norfloxacin	-2.75	[1]	View
v67	Nortriptyline	-3.93	[1]	View
v69	Ofloxacin	-1.27	[1]	View
v72	Papaverine	-4.21	[1]	View
v75	Phenazopyridine	-4.19	[1]	View
v76	Pindolol	-3.64	[1]	View
v80	Probenecid	-4.86	[1]	View
v82	Promethazine	-4.26	[1]	View
v89	Sulfasalazine	-6.21	[1]	View
v90	Sulfathiazole	-2.69	[1]	View
v94	Tetracaine	-3.05	[1]	View
v95	Tetracycline	-3	[1]	View
v99	Warfarin	-4.8	[1]	View
v101	Amantadine	-1.9	[1]	View
v102	Amiodarone	-9.68	[1]	View
v103	Amodiaquine	-5.87	[1]	View
v104	Bisoprolol	-1.46	[1]	View
v107	Chlorprothixene	-6.31	[1]	View
v112	Diflunisal	-4.92	[1]	View
v113	Diphenhydramine	-2.95	[1]	View
v119	Miconazole	-5.38	[1]	View
v122	Pioglitazone	-6.16	[1]	View
v123	Procaine	-1.72	[1]	View
v124	Quinine	-2.8	[1]	View
v131	Terfenadine	-8.4	[1]	View
v132	Thiabendazole	-3.48	[1]	View
sc1	Acetazolamide	-2.38	[2]	View
sc2	Acetylsalicylic Acid	-1.67	[2]	View
sc3	Alclofenac	-4.4	[2]	View
sc4	Ambroxol	-3.87	[2]	View
sc5	Aripiprazole	-6.64	[2]	View
sc6	Atovaquone	-6.07	[2]	View
sc7	Atrazine	-3.69	[2]	View
sc8	Baclofen	-1.78	[2]	View
sc9	Barbital,Buta-	-2.22	[2]	View
sc10	Benzthiazide	-4.84	[2]	View
sc11	Bromazepam	-3.39	[2]	View
sc12	Candesartan cilexetil	-6.79	[2]	View
sc13	Carbamazepine	-3.22	[2]	View
sc14	Carbazole	-5.19	[2]	View
sc15	Carbendazim	-4.56	[2]	View
sc16	Cefmenoxime	-3.27	[2]	View
sc17	Cefprozil	-1.68	[2]	View
sc18	Celecoxib	-5.89	[2]	View
sc19	Cephradine	-1.18	[2]	View
sc20	Chlorpropamide	-3.17	[2]	View
sc21	Deoxycholic Acid	-4.62	[2]	View
sc22	Cilostazol	-4.93	[2]	View
sc23	Cimetidine	-1.52	[2]	View
sc24	Ciprofloxacin	-3.57	[2]	View
sc25	Cisapride	-6.78	[2]	View
sc26	Corticosterone	-3.29	[2]	View
sc27	Cortisone Acetate	-4.22	[2]	View
sc28	Cyclosporine A	-5.03	[2]	View
sc29	Daidzein	-5.23	[2]	View
sc30	Desipramine	-3.83	[2]	View
sc31	Dexamethasone	-3.56	[2]	View
sc32	Diazoxide	-3.43	[2]	View
sc33	Diclofenac	-5.34	[2]	View
sc34	Diflorasone Diacetate	-4.82	[2]	View
sc35	Difloxacin	-3.83	[2]	View
sc36	Diltiazem	-3.02	[2]	View
sc37	Diphenylamine	-3.53	[2]	View
sc38	DOPA,L-	-1.76	[2]	View
sc39	Enalapril	-1.36	[2]	View
sc40	Estradiol,17α-	-5	[2]	View
sc41	Estrone	-5.38	[2]	View
sc42	Ethoxzolamide	-3.76	[2]	View
sc43	Etoposide	-3.6	[2]	View
sc44	Eucalyptol	-1.66	[2]	View
sc45	Fenbufen	-5.18	[2]	View
sc46	Flumequine	-3.9	[2]	View
sc47	Flurbiprofen	-4.34	[2]	View
sc48	Folic Acid	-5.96	[2]	View
sc49	Ganciclovir	-1.78	[2]	View
sc50	Glipizide	-5.61	[2]	View
sc51	Griseofulvin	-4.52	[2]	View
sc52	Haloperidol	-5.71	[2]	View
sc53	Ibrutinib	-4.85	[2]	View
sc54	Indinavir	-4.53	[2]	View
sc55	Indomethacin	-5.48	[2]	View
sc56	Indoprofen	-4.65	[2]	View
sc57	Ketoconazole	-5.47	[2]	View
sc58	Maprotiline	-4.62	[2]	View
sc59	Metolazone	-3.88	[2]	View
sc60	Nabumetone	-4.4	[2]	View
sc61	Naproxen	-4.23	[2]	View
sc62	Nelfinavir	-6.21	[2]	View
sc63	Nevirapine	-3.41	[2]	View
sc64	Nifedipine	-4.71	[2]	View
sc65	Nimesulide	-4.74	[2]	View
sc66	Norfloxacin	-2.88	[2]	View
sc67	Nortriptyline	-3.93	[2]	View
sc68	Noscapine	-4.48	[2]	View
sc69	Ofloxacin	-2.03	[2]	View
sc70	Oxazepam	-4.03	[2]	View
sc71	Oxyphenbutazone	-3.94	[2]	View
sc72	Papaverine	-4.33	[2]	View
sc73	Perphenazine	-4.48	[2]	View
sc74	Phenacetin	-2.3	[2]	View
sc75	Phenazopyridine	-4.02	[2]	View
sc76	Pindolol	-3.75	[2]	View
sc77	Pravastatin	-4.86	[2]	View
sc78	Prednisolone,Methyl-	-3.33	[2]	View
sc79	Primidone	-2.53	[2]	View
sc80	Probenecid	-4.83	[2]	View
sc81	Promazine	-4.45	[2]	View
sc82	Promethazine	-4.38	[2]	View
sc83	Repaglinide	-4.77	[2]	View
sc84	Resveratrol,trans-	-3.75	[2]	View
sc85	Ritonavir	-5.17	[2]	View
sc86	Rofecoxib	-4.61	[2]	View
sc87	Spironolactone	-4.21	[2]	View
sc88	Strychnine	-3.38	[2]	View
sc89	Sulfasalazine	-6.41	[2]	View
sc90	Sulfathiazole	-2.62	[2]	View
sc91	Sulfisomidine	-2.16	[2]	View
sc92	Sulfisoxazole	-3.13	[2]	View
sc93	Sulindac	-4.96	[2]	View
sc94	Tetracaine	-3.11	[2]	View
sc95	Tetracycline	-3.22	[2]	View
sc96	Thiacetazone	-3.5	[2]	View
sc97	Triamcinolone	-3.52	[2]	View
sc98	Triamterene	-4.11	[2]	View
sc99	Warfarin	-4.78	[2]	View
sc100	Xanthine	-3.6	[2]	View
sc101	Amantadine	-2.19	[2]	View
sc102	Amiodarone	-10.4	[2]	View
sc103	Amodiaquine	-5.49	[2]	View
sc104	Bisoprolol	-2.09	[2]	View
sc105	Bromocriptine	-5.5	[2]	View
sc106	Buprenorphine	-6.07	[2]	View
sc107	Chlorprothixene	-5.99	[2]	View
sc108	Clofazimine	-9.05	[2]	View
sc109	Curcumin	-5.36	[2]	View
sc110	Danazol	-6.1	[2]	View
sc111	Didanosine	-1.24	[2]	View
sc112	Diflunisal	-4.99	[2]	View
sc113	Diphenhydramine	-3.21	[2]	View
sc114	Etoxadrol	-1.96	[2]	View
sc115	Ezetimibe	-4.94	[2]	View
sc116	Fentiazac	-5.84	[2]	View
sc117	Iopanoic Acid	-5.49	[2]	View
sc118	Itraconazole	-8.98	[2]	View
sc119	Miconazole	-5.82	[2]	View
sc120	Mifepristone	-5.22	[2]	View
sc121	Omeprazole	-3.7	[2]	View
sc122	Pioglitazone	-6.2	[2]	View
sc123	Procaine	-2.3	[2]	View
sc124	Quinine	-3.06	[2]	View
sc125	Raloxifene	-6.82	[2]	View
sc126	Rifabutin	-4.09	[2]	View
sc127	Saquinavir	-5.92	[2]	View
sc128	Sulfadimethoxine	-3.74	[2]	View
sc129	Tamoxifen	-7.52	[2]	View
sc130	Telmisartan	-6.73	[2]	View
sc131	Terfenadine	-7.74	[2]	View
sc132	Thiabendazole	-3.97	[2]	View

Bibliography

Avdeef, A. Multi-lab intrinsic solubility measurement reproducibility in CheqSol and shake-flask methods. ADMET DMPK 2019, 7, 210–219. http://dx.doi.org/http://doi.org/10.5599/admet.698
Avdeef, A. Prediction of aqueous intrinsic solubility of druglike molecules using Random Forest regression trained with Wiki-pS0 database. ADMET DMPK 2020, 8, 29–77. http://dx.doi.org/http://doi.org/10.5599/admet.766

Search

Chemical search

Advanced Search

Browse

All of QsarDB
Communities & Collections By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type
This Collection
By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type

10967/257 - QDB Compounds

QsarDB Repository

Oja, M.; Sild, S.; Piir, G.; Maran, U. Intrinsic aqueous solubility: mechanistically transparent data-driven modeling of drug substances. Pharmaceutics 2022, 14, 2248.

Bibliography

Search

Browse

All of QsarDB

This Collection

My Account