UCSF

ZINC09379813

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 No

Popular Name: 5-(4-bromophenyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one 5-(4-bromophenyl)-3-hydroxy-4-(4…

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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) 5.00 11 -58.87 0 6 -1 79 515.424 10 ↓
Mid Mid (pH 6-8) 5.44 10.33 -26.78 1 6 0 76 516.432 9 ↓
Mid Mid (pH 6-8) 4.41 11.35 -19.43 0 6 0 73 516.432 10 ↓

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