UCSF

ZINC13409368

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-[(2-pyridylamino)methylene]-1H-pyrazol-3-yl]quinolin-2-one 4-hydroxy-1-methyl-3-[(4Z)-5-oxo…

Find On: PubMed — Wikipedia — Google

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) 1.29 1.88 -51.7 2 8 -1 119 360.353 3 ↓
Mid Mid (pH 6-8) 1.23 2.59 -149.55 1 8 -2 119 359.345 3 ↓
Mid Mid (pH 6-8) 1.08 4.44 -52.36 2 8 -1 119 360.353 2 ↓
Lo Low (pH 4.5-6) 1.62 3.96 -52.1 4 8 1 114 362.369 3 ↓
Lo Low (pH 4.5-6) 0.77 4.75 -57.62 3 8 0 117 361.361 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 235 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.