UCSF

ZINC13409410

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-(2-pyridylmethylene)-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) 1.08 2.68 -141.87 0 7 -2 107 344.33 2 ↓
Hi High (pH 8-9.5) 1.09 5.27 -144.9 0 7 -2 107 344.33 2 ↓
Hi High (pH 8-9.5) 1.09 4.61 -145.25 0 7 -2 107 344.33 2 ↓
Mid Mid (pH 6-8) 0.63 4.45 -51.97 1 7 -1 104 345.338 2 ↓
Mid Mid (pH 6-8) 0.63 5.37 -55.49 1 7 -1 104 345.338 2 ↓
Lo Low (pH 4.5-6) 1.47 4.33 -36.53 3 7 1 102 347.354 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 292 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.