UCSF

ZINC09370737

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 31 No

Popular Name: 5-(4-bromophenyl)-3-hydroxy-4-(4-isopropoxy-3-methyl-benzoyl)-1-(2-methoxyethyl)-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) 4.34 9.34 -60.97 0 6 -1 79 487.37 8 ↓
Mid Mid (pH 6-8) 4.79 8.4 -29.34 1 6 0 76 488.378 7 ↓
Mid Mid (pH 6-8) 3.76 -0.53 -24.18 0 6 0 72 488.378 8 ↓

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