UCSF

ZINC09374223

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 38 No

Popular Name: 4-(4-butoxy-3-methyl-benzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3-phenoxyphenyl)-5H-pyrrol-2-one 4-(4-butoxy-3-methyl-benzoyl)-3-…

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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) 5.96 12.53 -61.15 0 7 -1 88 514.598 12 ↓
Mid Mid (pH 6-8) 5.38 0.82 -23.28 0 7 0 82 515.606 12 ↓
Mid Mid (pH 6-8) 6.41 11.64 -29.01 1 7 0 85 515.606 11 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )