UCSF

ZINC13409432

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 29 No

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

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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) 3.41 3.92 -138.17 1 8 -2 118 428.235 3 ↓
Lo Low (pH 4.5-6) 2.95 5.46 -51.56 2 8 -1 115 429.243 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 284 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.