UCSF

ZINC13409448

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Substance Information

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

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

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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) 3.21 3.96 -134.29 1 8 -2 118 485.241 3 ↓
Lo Low (pH 4.5-6) 2.75 5.5 -49.23 2 8 -1 115 486.249 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 262 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.