UCSF

ZINC13409470

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 No

Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-5-oxo-4-(4-pyridylhydrazono)-1H-pyrazol-3-yl]quinolin-2-one 4-hydroxy-1-methyl-3-[(4Z)-5-oxo…

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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) 0.83 1.13 -133.96 1 9 -2 131 360.333 3 ↓
Lo Low (pH 4.5-6) 1.22 2.03 -46.15 4 9 1 127 363.357 3 ↓
Lo Low (pH 4.5-6) 0.38 2.63 -50.25 2 9 -1 128 361.341 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 294 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Rings

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

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