UCSF

ZINC13409505

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 1.74 3.25 -51.99 2 7 -1 111 360.349 2 ↓
Hi High (pH 8-9.5) 2.20 2.57 -238.66 0 7 -3 117 358.333 2 ↓
Hi High (pH 8-9.5) 1.74 4.88 -118.1 1 7 -2 114 359.341 2 ↓
Hi High (pH 8-9.5) 1.74 4.36 -115.02 1 7 -2 114 359.341 2 ↓
Hi High (pH 8-9.5) 2.20 1.9 -237.59 0 7 -3 117 358.333 2 ↓
Mid Mid (pH 6-8) 2.20 1.79 -140.83 1 7 -2 114 359.341 2 ↓
Mid Mid (pH 6-8) 2.20 1.13 -144.04 1 7 -2 114 359.341 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 240 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.