UCSF

ZINC20719200

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 27 Yes

Popular Name: (4S)-4-(3-hydroxyphenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(3-hydroxyphenyl)-3-methy…

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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) 0.92 4.4 -20.98 3 9 0 125 361.365 2 ↓
Hi High (pH 8-9.5) 0.92 3.9 -52.79 2 9 -1 123 360.357 2 ↓
Hi High (pH 8-9.5) 0.74 6.65 -47.98 2 9 -1 120 360.357 2 ↓
Mid Mid (pH 6-8) 0.74 7.12 -19.92 3 9 0 122 361.365 2 ↓
Mid Mid (pH 6-8) 0.92 4.38 -19.87 3 9 0 125 361.365 2 ↓

Activity (Go SEA)

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