UCSF

ZINC31808805

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 30 Yes

Popular Name: (4S)-4-(2,4-dimethoxyphenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-4-(2,4-dimethoxyphenyl)-3-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 8.49 -16.96 2 10 0 120 405.418 4 ↓
Hi High (pH 8-9.5) 1.47 5.22 -50.44 1 10 -1 122 404.41 4 ↓
Hi High (pH 8-9.5) 1.28 7.99 -44.08 1 10 -1 118 404.41 4 ↓
Mid Mid (pH 6-8) 1.28 8.46 -16.23 2 10 0 120 405.418 4 ↓
Mid Mid (pH 6-8) 1.47 5.69 -17.47 2 10 0 123 405.418 4 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )