UCSF

ZINC09380662

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Substance Information

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

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

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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) 5.65 13.32 -46.33 0 7 -1 88 514.598 11 ↓
Mid Mid (pH 6-8) 6.09 11.9 -28.5 1 7 0 85 515.606 10 ↓
Mid Mid (pH 6-8) 5.06 1.18 -20.92 0 7 0 82 515.606 11 ↓

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