UCSF

ZINC06477721

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 29 No

Popular Name: 3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(5-methylisoxazol-3-yl)-5-(2-thienyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-methoxy-3-methyl-…

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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) 3.24 9.23 -46.55 0 7 -1 96 409.443 5 ↓
Mid Mid (pH 6-8) 2.65 8.92 -25.02 0 7 0 90 410.451 5 ↓
Mid Mid (pH 6-8) 3.68 7.87 -35.04 1 7 0 93 410.451 4 ↓

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