UCSF

ZINC09380620

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 34 No

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

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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) 5.10 11.84 -61.26 0 6 -1 79 464.582 11 ↓
Mid Mid (pH 6-8) 5.55 11.11 -26.53 1 6 0 76 465.59 10 ↓
Mid Mid (pH 6-8) 4.52 1.02 -20.08 0 6 0 72 465.59 11 ↓

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