UCSF

ZINC40048669

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 No

Popular Name: (2R)-4-hydroxy-1-(3-hydroxypropyl)-3-(4-methoxy-3-methyl-benzoyl)-2-(4-pentoxyphenyl)-2H-pyrrol-5-on (2R)-4-hydroxy-1-(3-hydroxypropy…

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) 4.45 8.13 -64.06 1 7 -1 99 466.554 12 ↓
Lo Low (pH 4.5-6) 4.45 7.37 -18.2 2 7 0 96 467.562 12 ↓

Activity (Go SEA)

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