UCSF

ZINC09210241

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 33 No

Popular Name: 3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-isobutoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one 3-hydroxy-5-(4-hydroxy-3-methoxy…

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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) 2.88 6.43 -61.19 1 8 -1 108 454.499 10 ↓
Mid Mid (pH 6-8) 3.33 5.34 -32.37 2 8 0 106 455.507 9 ↓
Mid Mid (pH 6-8) 2.30 -1.44 -26.66 1 8 0 102 455.507 10 ↓

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