UCSF

ZINC09272801

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 No

Popular Name: 5-(4-ethylphenyl)-3-hydroxy-4-(4-isobutoxy-2-methyl-benzoyl)-1-(2-methoxyethyl)-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) 4.83 12.42 -53.66 0 6 -1 79 450.555 10 ↓
Mid Mid (pH 6-8) 5.28 11.03 -18.72 1 6 0 76 451.563 9 ↓
Mid Mid (pH 6-8) 4.25 0.98 -20.58 0 6 0 72 451.563 10 ↓

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