UCSF

ZINC65503947

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

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

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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) 1.94 8.06 -11.99 1 6 0 63 347.422 3 ↓
Lo Low (pH 4.5-6) 1.94 8.83 -24.66 2 6 0 64 348.43 3 ↓

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

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