UCSF

ZINC13409382

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 26 No

Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-5-oxo-4-[(thiazol-2-ylamino)methylene]-1H-pyrazol-3-yl]quinolin-2-one 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) 1.25 0.99 -47.57 2 8 -1 119 366.382 3 ↓
Mid Mid (pH 6-8) 1.19 1.9 -147.01 1 8 -2 119 365.374 3 ↓
Mid Mid (pH 6-8) 1.03 3.54 -48.36 2 8 -1 119 366.382 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 248 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.