UCSF

ZINC08926727

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: 3-hydroxy-5-(4-hydroxyphenyl)-4-(4-isobutoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one 3-hydroxy-5-(4-hydroxyphenyl)-4-…

Find On: PubMed — Wikipedia — Google

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) 3.71 8.31 -44.99 1 7 -1 99 452.527 10 ↓
Mid Mid (pH 6-8) 4.16 7.85 -18.18 2 7 0 96 453.535 9 ↓

Activity (Go SEA)

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