UCSF

ZINC13409418

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 30 No

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

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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) 2.08 3.21 -127.09 1 11 -2 164 404.342 4 ↓
Mid Mid (pH 6-8) 1.62 4.88 -51.72 2 11 -1 161 405.35 4 ↓

Vendor Notes

Note Type Comments Provided By
mp 300 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.