UCSF

ZINC09380661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 38 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(2-methoxyethyl)-5-(3-phenoxyphenyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxy-3-methy…

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) 5.65 13.43 -46.23 0 7 -1 88 514.598 11 ↓
Mid Mid (pH 6-8) 6.09 11.56 -28.87 1 7 0 85 515.606 10 ↓
Mid Mid (pH 6-8) 5.06 1.03 -23.13 0 7 0 82 515.606 11 ↓

Activity (Go SEA)

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