UCSF

ZINC49547227

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 1.89 4.48 -11.87 1 6 0 73 334.379 4 ↓
Ref Reference (pH 7) 1.70 7.11 -12.55 1 6 0 69 334.379 4 ↓
Lo Low (pH 4.5-6) 1.89 4.94 -42.21 2 6 1 74 335.387 4 ↓
Lo Low (pH 4.5-6) 1.70 7.58 -42.54 2 6 1 70 335.387 4 ↓

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

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