UCSF

ZINC13409513

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 32 No

Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylene]-1H-pyrazol-3-yl]quinolin-2-on 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) 1.43 5.18 -50.42 1 9 -1 119 434.428 5 ↓
Mid Mid (pH 6-8) 1.89 2.59 -129.49 0 9 -2 122 433.42 5 ↓
Mid Mid (pH 6-8) 1.89 3.77 -136.25 0 9 -2 122 433.42 5 ↓

Vendor Notes

Note Type Comments Provided By
mp 196 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.