UCSF

ZINC31809227

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 27 Yes

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

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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) 1.36 9.84 -16.1 2 8 0 101 363.356 2 ↓
Hi High (pH 8-9.5) 1.54 6.54 -49.59 1 8 -1 103 362.348 2 ↓
Hi High (pH 8-9.5) 1.36 9.34 -43.24 1 8 -1 100 362.348 2 ↓
Mid Mid (pH 6-8) 1.36 9.81 -15.57 2 8 0 101 363.356 2 ↓
Mid Mid (pH 6-8) 1.54 7.02 -16.78 2 8 0 105 363.356 2 ↓

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