UCSF

ZINC09370885

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 No

Popular Name: 3-hydroxy-4-(4-isopropoxy-3-methyl-benzoyl)-1-(2-methoxyethyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-isopropoxy-3-meth…

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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) 3.49 9.96 -58.9 0 9 -1 125 453.471 9 ↓
Mid Mid (pH 6-8) 3.94 8.95 -33.79 1 9 0 122 454.479 8 ↓
Mid Mid (pH 6-8) 2.91 1.07 -26.38 0 9 0 118 454.479 9 ↓

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