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.

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

IDNamelogS0RefDetails
t1Amoxicillin-1.97[1]View
t2Nitrofurantoin-3.29[1]View
t3Bifonazole-6.01[1]View
t4Acetaminophen-1.03[1]View
t5Sulfacetamide-1.52[1]View
t6Cephalothin-2.94[1]View
t7Ketoprofen-3.23[1]View
t8Fenoprofen-3.7[1]View
t9Carprofen-4.7[1]View
t10Nadolol-1.63[1]View
t11Thymol-2.19[1]View
t12Ibuprofen-3.97[1]View
t13Fluvastatin-3.87[1]View
t14Alprenolol-2.66[1]View
t15Propranolol-3.49[1]View
t16Atenolol-1.25[1]View
t17Diethylstilbestrol-4.43[1]View
t18Mefenamic Acid-6.54[1]View
t19Paliperidone-4.31[1]View
t20Meclofenamic Acid-6.56[1]View
t21Sulfamethazine-2.73[1]View
t22Meclizine-6.48[1]View
t23Gliclazide-4.2[1]View
t24Sulfamerazine-3.12[1]View
t25Metronidazole-1.22[1]View
t26Sulfamethizole-2.78[1]View
t27Phenobarbital-2.29[1]View
t28Glimepiride-6.44[1]View
t29Pyrimethamine-4.11[1]View
t30Acebutolol-2.68[1]View
t31Phenylbutazone-4.39[1]View
t32Bupivacaine-3.08[1]View
t33Tolbutamide-3.5[1]View
t34Dibucaine-4.2[1]View
t35Pramoxine-3.02[1]View
t36Lidocaine-1.87[1]View
t37Metoclopramide-3.58[1]View
t38Nalidixic Acid-3.61[1]View
t39Enrofloxacin-3.18[1]View
t40Benzocaine-2.33[1]View
t41Chlorzoxazone-2.64[1]View
t42Trazodone-3.19[1]View
t43Oxytetracycline-3.09[1]View
t44Loperamide-7.1[1]View
t45Chlorpheniramine-2.6[1]View
t46Amitriptyline-4.55[1]View
t47Chlorpromazine-5.55[1]View
t48Imipramine-4.15[1]View
t49Orphenadrine-3.17[1]View
t50Rosiglitazone-5.22[1]View
t51Sertraline-4.83[1]View
t52Atropine-2[1]View
t53Piroxicam-4.73[1]View
t54Tolmetin-4.11[1]View
t55Hexobarbital-2.67[1]View
t56Cyproheptadine-5[1]View
t57Olanzapine-4.23[1]View
t58Prochlorperazine-4.75[1]View
t59Ranitidine-2.5[1]View
t60Glibenclamide-6.41[1]View
t61Carvedilol-4.46[1]View
t62Trimethoprim-2.95[1]View
t63Verapamil-4.07[1]View
t64Metoprolol-1.22[1]View
t65Famotidine-2.65[1]View
t66Guanine-4.43[1]View
t67Bendroflumethiazide-4.19[1]View
t68Hydroflumethiazide-2.97[1]View
t69Furosemide-4.18[1]View
t70Trichlormethiazide-3.38[1]View
t71Phenytoin-3.86[1]View
t72Flufenamic Acid-5.35[1]View
t73Salicylic Acid-1.93[1]View
t744-hydroxybenzoic acid-1.46[1]View
t752-Naphthoic Acid-3.77[1]View
t76Benzoic Acid-1.61[1]View
t772-Phthalic Acid-1.55[1]View
t78Niflumic Acid-4.11[1]View
t794-Iodophenol-1.72[1]View
t801-Naphthol-1.98[1]View
t81Dipyridamole-5.16[1]View
v1Acetazolamide-2.44[1]View
v5Aripiprazole-6.43[1]View
v10Benzthiazide-4.86[1]View
v20Chlorpropamide-3.21[1]View
v23Cimetidine-1.69[1]View
v24Ciprofloxacin-3.6[1]View
v32Diazoxide-3.36[1]View
v33Diclofenac-5.4[1]View
v35Difloxacin-3.6[1]View
v36Diltiazem-3.05[1]View
v46Flumequine-3.8[1]View
v47Flurbiprofen-4.05[1]View
v50Glipizide-5.51[1]View
v52Haloperidol-5.52[1]View
v58Maprotiline-4.75[1]View
v61Naproxen-4.41[1]View
v66Norfloxacin-2.75[1]View
v67Nortriptyline-3.93[1]View
v69Ofloxacin-1.27[1]View
v72Papaverine-4.21[1]View
v75Phenazopyridine-4.19[1]View
v76Pindolol-3.64[1]View
v80Probenecid-4.86[1]View
v82Promethazine-4.26[1]View
v89Sulfasalazine-6.21[1]View
v90Sulfathiazole-2.69[1]View
v94Tetracaine-3.05[1]View
v95Tetracycline-3[1]View
v99Warfarin-4.8[1]View
v101Amantadine-1.9[1]View
v102Amiodarone-9.68[1]View
v103Amodiaquine-5.87[1]View
v104Bisoprolol-1.46[1]View
v107Chlorprothixene-6.31[1]View
v112Diflunisal-4.92[1]View
v113Diphenhydramine-2.95[1]View
v119Miconazole-5.38[1]View
v122Pioglitazone-6.16[1]View
v123Procaine-1.72[1]View
v124Quinine-2.8[1]View
v131Terfenadine-8.4[1]View
v132Thiabendazole-3.48[1]View
sc1Acetazolamide-2.38[2]View
sc2Acetylsalicylic Acid-1.67[2]View
sc3Alclofenac-4.4[2]View
sc4Ambroxol-3.87[2]View
sc5Aripiprazole-6.64[2]View
sc6Atovaquone-6.07[2]View
sc7Atrazine-3.69[2]View
sc8Baclofen-1.78[2]View
sc9Barbital,Buta--2.22[2]View
sc10Benzthiazide-4.84[2]View
sc11Bromazepam-3.39[2]View
sc12Candesartan cilexetil-6.79[2]View
sc13Carbamazepine-3.22[2]View
sc14Carbazole-5.19[2]View
sc15Carbendazim-4.56[2]View
sc16Cefmenoxime-3.27[2]View
sc17Cefprozil-1.68[2]View
sc18Celecoxib-5.89[2]View
sc19Cephradine-1.18[2]View
sc20Chlorpropamide-3.17[2]View
sc21Deoxycholic Acid-4.62[2]View
sc22Cilostazol-4.93[2]View
sc23Cimetidine-1.52[2]View
sc24Ciprofloxacin-3.57[2]View
sc25Cisapride-6.78[2]View
sc26Corticosterone-3.29[2]View
sc27Cortisone Acetate-4.22[2]View
sc28Cyclosporine A-5.03[2]View
sc29Daidzein-5.23[2]View
sc30Desipramine-3.83[2]View
sc31Dexamethasone-3.56[2]View
sc32Diazoxide-3.43[2]View
sc33Diclofenac-5.34[2]View
sc34Diflorasone Diacetate-4.82[2]View
sc35Difloxacin-3.83[2]View
sc36Diltiazem-3.02[2]View
sc37Diphenylamine-3.53[2]View
sc38DOPA,L--1.76[2]View
sc39Enalapril-1.36[2]View
sc40Estradiol,17α--5[2]View
sc41Estrone-5.38[2]View
sc42Ethoxzolamide-3.76[2]View
sc43Etoposide-3.6[2]View
sc44Eucalyptol-1.66[2]View
sc45Fenbufen-5.18[2]View
sc46Flumequine-3.9[2]View
sc47Flurbiprofen-4.34[2]View
sc48Folic Acid-5.96[2]View
sc49Ganciclovir-1.78[2]View
sc50Glipizide-5.61[2]View
sc51Griseofulvin-4.52[2]View
sc52Haloperidol-5.71[2]View
sc53Ibrutinib-4.85[2]View
sc54Indinavir-4.53[2]View
sc55Indomethacin-5.48[2]View
sc56Indoprofen-4.65[2]View
sc57Ketoconazole-5.47[2]View
sc58Maprotiline-4.62[2]View
sc59Metolazone-3.88[2]View
sc60Nabumetone-4.4[2]View
sc61Naproxen-4.23[2]View
sc62Nelfinavir-6.21[2]View
sc63Nevirapine-3.41[2]View
sc64Nifedipine-4.71[2]View
sc65Nimesulide-4.74[2]View
sc66Norfloxacin-2.88[2]View
sc67Nortriptyline-3.93[2]View
sc68Noscapine-4.48[2]View
sc69Ofloxacin-2.03[2]View
sc70Oxazepam-4.03[2]View
sc71Oxyphenbutazone-3.94[2]View
sc72Papaverine-4.33[2]View
sc73Perphenazine-4.48[2]View
sc74Phenacetin-2.3[2]View
sc75Phenazopyridine-4.02[2]View
sc76Pindolol-3.75[2]View
sc77Pravastatin-4.86[2]View
sc78Prednisolone,Methyl--3.33[2]View
sc79Primidone-2.53[2]View
sc80Probenecid-4.83[2]View
sc81Promazine-4.45[2]View
sc82Promethazine-4.38[2]View
sc83Repaglinide-4.77[2]View
sc84Resveratrol,trans--3.75[2]View
sc85Ritonavir-5.17[2]View
sc86Rofecoxib-4.61[2]View
sc87Spironolactone-4.21[2]View
sc88Strychnine-3.38[2]View
sc89Sulfasalazine-6.41[2]View
sc90Sulfathiazole-2.62[2]View
sc91Sulfisomidine-2.16[2]View
sc92Sulfisoxazole-3.13[2]View
sc93Sulindac-4.96[2]View
sc94Tetracaine-3.11[2]View
sc95Tetracycline-3.22[2]View
sc96Thiacetazone-3.5[2]View
sc97Triamcinolone-3.52[2]View
sc98Triamterene-4.11[2]View
sc99Warfarin-4.78[2]View
sc100Xanthine-3.6[2]View
sc101Amantadine-2.19[2]View
sc102Amiodarone-10.4[2]View
sc103Amodiaquine-5.49[2]View
sc104Bisoprolol-2.09[2]View
sc105Bromocriptine-5.5[2]View
sc106Buprenorphine-6.07[2]View
sc107Chlorprothixene-5.99[2]View
sc108Clofazimine-9.05[2]View
sc109Curcumin-5.36[2]View
sc110Danazol-6.1[2]View
sc111Didanosine-1.24[2]View
sc112Diflunisal-4.99[2]View
sc113Diphenhydramine-3.21[2]View
sc114Etoxadrol-1.96[2]View
sc115Ezetimibe-4.94[2]View
sc116Fentiazac-5.84[2]View
sc117Iopanoic Acid-5.49[2]View
sc118Itraconazole-8.98[2]View
sc119Miconazole-5.82[2]View
sc120Mifepristone-5.22[2]View
sc121Omeprazole-3.7[2]View
sc122Pioglitazone-6.2[2]View
sc123Procaine-2.3[2]View
sc124Quinine-3.06[2]View
sc125Raloxifene-6.82[2]View
sc126Rifabutin-4.09[2]View
sc127Saquinavir-5.92[2]View
sc128Sulfadimethoxine-3.74[2]View
sc129Tamoxifen-7.52[2]View
sc130Telmisartan-6.73[2]View
sc131Terfenadine-7.74[2]View
sc132Thiabendazole-3.97[2]View

Bibliography

  1. Avdeef, A. Multi-lab intrinsic solubility measurement reproducibility in CheqSol and shake-flask methods. ADMET DMPK 2019, 7, 210–219. https://doi.org/http://doi.org/10.5599/admet.698

  2. 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. https://doi.org/http://doi.org/10.5599/admet.766