UCSF

ZINC49549714

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 24 Yes

Popular Name: (4S)-1-tert-butyl-4-(6-quinolyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-1-tert-butyl-4-(6-quinolyl)…

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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) 2.66 5.65 -13.17 1 5 0 63 320.396 2 ↓
Ref Reference (pH 7) 2.48 8.14 -14.32 1 5 0 60 320.396 2 ↓
Lo Low (pH 4.5-6) 2.66 6.08 -37.42 2 5 1 65 321.404 2 ↓
Lo Low (pH 4.5-6) 2.48 8.58 -37.89 2 5 1 61 321.404 2 ↓

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

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