UCSF

ZINC49545950

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 22 Yes

Popular Name: (4R)-1-methyl-4-(3-phenyl-1H-pyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-1-methyl-4-(3-phenyl-1H-pyr…

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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) 1.48 2.79 -11.24 2 6 0 79 293.33 2 ↓
Ref Reference (pH 7) 1.30 5.46 -11.49 2 6 0 76 293.33 2 ↓
Mid Mid (pH 6-8) 1.30 5.47 -11.38 2 6 0 76 293.33 2 ↓
Mid Mid (pH 6-8) 1.48 2.83 -10.91 2 6 0 79 293.33 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.