UCSF

ZINC13409360

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 28 No

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

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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) 2.48 5.96 -49.48 2 7 -1 103 438.261 3 ↓
Mid Mid (pH 6-8) 2.94 4.39 -139.55 1 7 -2 106 437.253 3 ↓
Mid Mid (pH 6-8) 2.94 4.11 -141.86 1 7 -2 106 437.253 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 293 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.