UCSF

ZINC15920039

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 30 No

Popular Name: (5S)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-(2-hydroxyethyl)-4-(4-methoxybenzoyl)-5H-pyrrol-2-one (5S)-5-(3-ethoxy-4-hydroxy-pheny…

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Download: MOL2 SDF SMILES Flexibase

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) 1.52 2.49 -65.01 2 8 -1 119 412.418 8 ↓
Mid Mid (pH 6-8) 1.96 1.5 -33.38 3 8 0 117 413.426 7 ↓
Mid Mid (pH 6-8) 0.93 2.48 -27.53 2 8 0 113 413.426 8 ↓

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