UCSF

ZINC13409352

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 No

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

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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) 1.67 5.34 -52.85 2 7 -1 103 359.365 3 ↓
Mid Mid (pH 6-8) 2.13 3.76 -146.37 1 7 -2 106 358.357 3 ↓
Mid Mid (pH 6-8) 2.13 3.49 -148.7 1 7 -2 106 358.357 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 272 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.