UCSF

ZINC13409371

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-5-oxo-4-[(3-pyridylamino)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) 1.12 0.67 -46.49 2 8 -1 119 360.353 3 ↓
Mid Mid (pH 6-8) 1.06 1.73 -145.85 1 8 -2 119 359.345 3 ↓
Mid Mid (pH 6-8) 0.91 3.23 -47.7 2 8 -1 119 360.353 2 ↓
Lo Low (pH 4.5-6) 1.45 3.12 -58.93 4 8 1 114 362.369 3 ↓
Lo Low (pH 4.5-6) 0.60 3.88 -66.24 3 8 0 117 361.361 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 281 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.