UCSF

ZINC20719204

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4R)-4-(3-hydroxyphenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-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 4.16 -19.4 3 9 0 125 361.365 2 ↓
Hi High (pH 8-9.5) 0.92 3.66 -50.96 2 9 -1 123 360.357 2 ↓
Hi High (pH 8-9.5) 0.74 6.45 -44.41 2 9 -1 120 360.357 2 ↓
Mid Mid (pH 6-8) 0.74 6.93 -16.18 3 9 0 122 361.365 2 ↓
Mid Mid (pH 6-8) 0.92 4.13 -17.7 3 9 0 125 361.365 2 ↓

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