UCSF

ZINC40053788

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 No

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.57 6.07 -61.42 1 6 -1 90 398.41 7 ↓
Lo Low (pH 4.5-6) 2.57 5.32 -13.04 2 6 0 87 399.418 7 ↓

Activity (Go SEA)

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