UCSF

ZINC09507782

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 33 No

Popular Name: 4-(3-chloro-4-methoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-3-isoxazolyl)-1,5-dihydro-2H-pyrrol-2-one 4-(3-chloro-4-methoxybenzoyl)-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) 5.08 11.35 -54.11 0 7 -1 96 465.913 6 ↓
Mid Mid (pH 6-8) 5.53 10.69 -27.41 1 7 0 93 466.921 5 ↓
Mid Mid (pH 6-8) 4.50 11.72 -13.92 0 7 0 90 466.921 6 ↓

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