UCSF

ZINC15919985

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 No

Popular Name: (5S)-5-(3-ethoxy-4-hydroxy-phenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-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) 1.62 3.25 -61.46 2 7 -1 110 400.382 7 ↓
Mid Mid (pH 6-8) 2.07 2.26 -32.93 3 7 0 107 401.39 6 ↓
Mid Mid (pH 6-8) 1.04 3.23 -26.22 2 7 0 104 401.39 7 ↓

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