UCSF

ZINC13409452

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 26 No

Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-5-oxo-4-(thiazol-2-ylhydrazono)-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) 2.10 1.01 -165.54 1 9 -2 134 366.362 2 ↓
Mid Mid (pH 6-8) 1.65 2.66 -70.82 2 9 -1 131 367.37 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 301 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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