UCSF

ZINC13409444

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 28 No

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

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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) 2.93 3.49 -134.25 1 8 -2 118 438.241 3 ↓
Lo Low (pH 4.5-6) 2.47 5.02 -49.48 2 8 -1 115 439.249 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 260 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.