UCSF

ZINC15109794

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 29 No

Popular Name: (5S)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxy-phenyl)-4-(3-methoxybenzoyl)-5H-pyrrol-2-on (5S)-3-hydroxy-1-(2-hydroxyethyl…

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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) 1.12 1.61 -65.79 2 8 -1 119 398.391 7 ↓
Mid Mid (pH 6-8) 1.56 0.5 -34.09 3 8 0 117 399.399 6 ↓
Mid Mid (pH 6-8) 0.53 1.52 -26.83 2 8 0 113 399.399 7 ↓

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