UCSF

ZINC31809223

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Substance Information

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

Popular Name: (4R)-4-(2-fluorophenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-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 10.02 -16.2 2 8 0 101 363.356 2 ↓
Hi High (pH 8-9.5) 1.54 6.77 -49.64 1 8 -1 103 362.348 2 ↓
Hi High (pH 8-9.5) 1.36 9.52 -43.86 1 8 -1 100 362.348 2 ↓
Mid Mid (pH 6-8) 1.36 10 -15.59 2 8 0 101 363.356 2 ↓
Mid Mid (pH 6-8) 1.54 7.25 -16.56 2 8 0 105 363.356 2 ↓

Activity (Go SEA)

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