UCSF

ZINC04541050

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 31 No

Popular Name: 4-(2,5-dimethylbenzoyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one 4-(2,5-dimethylbenzoyl)-5-(3-eth…

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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) 2.90 7.08 -49.54 1 7 -1 99 424.473 8 ↓
Mid Mid (pH 6-8) 3.35 -0.92 -21.14 2 7 0 96 425.481 7 ↓
Mid Mid (pH 6-8) 2.32 -1.13 -16.58 1 7 0 93 425.481 8 ↓

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