UCSF

ZINC20737357

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 30 Yes

Popular Name: (4S)-4-(3,4-dimethoxyphenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(3,4-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) 1.07 6.45 -23.59 2 10 0 123 405.418 4 ↓
Hi High (pH 8-9.5) 1.07 5.95 -55.47 1 10 -1 122 404.41 4 ↓
Hi High (pH 8-9.5) 0.89 8.7 -50.52 1 10 -1 118 404.41 4 ↓
Mid Mid (pH 6-8) 1.07 6.43 -22.49 2 10 0 123 405.418 4 ↓
Mid Mid (pH 6-8) 0.89 9.17 -22.42 2 10 0 120 405.418 4 ↓

Activity (Go SEA)

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