UCSF

ZINC31810221

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 28 Yes

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

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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) 1.47 9.82 -17.5 2 8 0 101 381.346 2 ↓
Ref Reference (pH 7) 1.66 7.02 -20.1 2 8 0 105 381.346 2 ↓
Hi High (pH 8-9.5) 1.66 6.52 -52.47 1 8 -1 103 380.338 2 ↓
Hi High (pH 8-9.5) 1.47 9.32 -45.79 1 8 -1 100 380.338 2 ↓
Mid Mid (pH 6-8) 1.66 6.99 -18.24 2 8 0 105 381.346 2 ↓
Mid Mid (pH 6-8) 1.47 9.79 -16.6 2 8 0 101 381.346 2 ↓

Activity (Go SEA)

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