UCSF

ZINC20744557

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 28 Yes

Popular Name: (4S)-4-(2,4-difluorophenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(2,4-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) 1.68 7.11 -17.86 2 8 0 105 381.346 2 ↓
Hi High (pH 8-9.5) 1.68 6.61 -48.23 1 8 -1 103 380.338 2 ↓
Hi High (pH 8-9.5) 1.50 9.4 -42.09 1 8 -1 100 380.338 2 ↓
Mid Mid (pH 6-8) 1.68 7.09 -16.6 2 8 0 105 381.346 2 ↓
Mid Mid (pH 6-8) 1.50 9.88 -15.55 2 8 0 101 381.346 2 ↓

Activity (Go SEA)

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