UCSF

ZINC09019890

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 34 No

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

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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) 5.42 11.9 -61.72 0 6 -1 79 464.582 12 ↓
Mid Mid (pH 6-8) 4.84 12.17 -20.23 0 6 0 73 465.59 12 ↓
Mid Mid (pH 6-8) 5.86 11.2 -26.75 1 6 0 76 465.59 11 ↓

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