UCSF

ZINC14001420

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 32 No

Popular Name: (5S)-4-(3,4-dimethoxybenzoyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-propyl-5H-pyrrol-2-one (5S)-4-(3,4-dimethoxybenzoyl)-5-…

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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) 2.62 6.07 -59.35 1 8 -1 108 440.472 9 ↓
Mid Mid (pH 6-8) 3.06 5.46 -29.8 2 8 0 106 441.48 8 ↓
Mid Mid (pH 6-8) 2.03 6.43 -25.57 1 8 0 102 441.48 9 ↓

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