UCSF

ZINC09358594

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 33 No

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

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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) 5.29 11.9 -39.94 0 6 -1 79 515.424 11 ↓
Mid Mid (pH 6-8) 4.71 -0.63 -21.33 0 6 0 72 516.432 11 ↓
Mid Mid (pH 6-8) 5.74 10.03 -24.97 1 6 0 76 516.432 10 ↓

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