UCSF

ZINC09427377

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 34 No

Popular Name: 4-(3,4-dimethoxybenzoyl)-5-(4-ethoxyphenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5H-pyrrol-2-one 4-(3,4-dimethoxybenzoyl)-5-(4-et…

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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) 2.98 10.32 -62.34 0 9 -1 114 463.466 8 ↓
Mid Mid (pH 6-8) 3.43 8.43 -36.6 1 9 0 111 464.474 7 ↓
Mid Mid (pH 6-8) 2.40 2.05 -28.74 0 9 0 108 464.474 8 ↓

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