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Palmer, D. S.; Llinas, A.; Morao, I.; Day, G. M.; Goodman, J. M.; Glen, R. C.; Mitchell, J. B. O. Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle. Mol. Pharmaceutics 2008, 5, 266-279.

60 compounds | Property logS0: Intrinsic aqueous solubility as logS0 [mol/L]

ID Name logS0 Ref Details
tr1 acetaminophen i -1.02 [1] View
tr2 acetanilide i -1.4 [2] View
tr3 adenosine i -1.73 [2] View
tr4 alclofenac i -3.13 [3] View
tr5 allopurinol i -2.26 [3] View
tr6 alprazolam i -3.6 [3] View
tr7 4-aminosalicylic acid i -1.96 [2] View
tr8 benzamide i -0.95 [2] View
tr9 benzocaine i -2.41 [1] View
tr10 benzoic acid i -1.58 [3] View
tr11 chlorprothixene i -6.75 [1] View
tr12 chlorzoxazone i -2.59 [1] View
tr13 cimetidine i -1.69 [1] View
tr14 clozapine i -3.24 [1] View
tr15 cocaine i -2.25 [3] View
tr16 diclofenac i -5.34 [1] View
tr17 flufenamic acid i -5.33 [1] View
tr18 ibuprofen i -3.62 [3] View
tr19 indoprofen i -4.82 [3] View
tr20 mefenamic acid i -6.35 [1] View
tr21 metoclopramide i -3.58 [1] View
tr22 naphthalene i -3.61 [2] View
tr23 1-naphthol i -1.96 [1] View
tr24 naproxen i -4.15 [1] View
tr25 nicotinic acid i -0.85 [2] View
tr26 nitrofurantoin i -3.26 [1] View
tr27 papaverine i -4.34 [1] View
tr28 phenobarbital i -2.28 [1] View
tr29 phthalic acid i -1.47 [1] View
tr30 propanolol i -3.49 [1] View
tr31 pyrazinamide i -0.91 [2] View
tr32 pyrimethamine i -4.11 [1] View
tr33 salicylic acid i -1.94 [1] View
tr34 trimethoprim i -2.9 [1] View
et1 4-aminobenzoic acid i -1.37 [2] View
et2 corticosterone i -3.24 [3] View
et3 danthron i -5.19 [2] View
et4 dapsone i -3.09 [2] View
et5 diazepam i -3.75 [3] View
et6 diphenylhydantoin i -3.86 [1] View
et7 estrone i -3.95 [2] View
et8 fluconazole i -1.8 [3] View
et9 hydrochlorothiazide i -2.68 [1] View
et10 hydroflumethiazide i -2.98 [1] View
et11 isoproturon i -3.47 [2] View
et12 oxytetracycline i -3.1 [1] View
et13 piroxicam i -4.8 [1] View
et14 primidone i -2.64 [2] View
et15 pteridine i 0.02 [1] View
et16 pyrene i -6.18 [2] View
et17 sparfloxacin i -3.37 [1] View
et18 sulfadiazine i -3.53 [2] View
et19 sulfamerazine i -3.12 [1] View
et20 sulfamethazine i -2.73 [1] View
et21 sulfamethoxazole i -2.7 [2] View
et22 sulfanilamide i -1.36 [2] View
et23 tolbutamide i -3.47 [1] View
et24 1,3,5-trichlorobenzene i -4.44 [2] View
et25 triphenylene i -6.73 [2] View
et26 uracil i -1.49 [3] View

Bibliography

  1. Palmer, D. S.; Llinas, A.; Morao, I.; Day, G. M.; Goodman, J. M.; Glen, R. C.; Mitchell, J. B. O. Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle. Molecular Pharmaceutics 2008, 5, 266-279. http://dx.doi.org/10.1021/mp7000878

  2. Rytting, E.; Lentz, K. A.; Chen, X.-Q.; Qian, F.; Venkatesh, S. Aqueous and cosolvent solubility data for drug-like organic compounds. The AAPS Journal 2005, 7, E78-E105. http://dx.doi.org/10.1208/aapsj070110

  3. Bergstrom, C. A. S.; Wassvik, C. M.; Norinder, U.; Luthman, K.; Artursson, P. Global and Local Computational Models for Aqueous Solubility Prediction of Drug-Like Molecules. Journal of Chemical Information and Modeling 2004, 44, 1477-1488. http://dx.doi.org/10.1021/ci049909h