UCSF

ZINC16751360

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 26 No

Popular Name: (5R)-4-(3-fluoro-4-methyl-benzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-pyridyl)-5H-pyrrol-2-one (5R)-4-(3-fluoro-4-methyl-benzoy…

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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) 1.00 2.98 -14.88 2 6 0 91 356.353 5 ↓
Mid Mid (pH 6-8) 0.41 3.64 -22.93 1 6 0 88 356.353 5 ↓
Lo Low (pH 4.5-6) 1.44 2.94 -72.22 3 6 1 92 357.361 4 ↓
Lo Low (pH 4.5-6) 0.41 3.92 -60.1 2 6 1 89 357.361 5 ↓

Activity (Go SEA)

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