UCSF

ZINC09380444

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 No

Popular Name: 5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrr 5-(3-ethoxy-4-hydroxy-phenyl)-3-…

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) 3.90 8.89 -60.2 1 8 -1 108 496.58 12 ↓
Mid Mid (pH 6-8) 3.32 8.37 -24.71 1 8 0 102 497.588 12 ↓
Mid Mid (pH 6-8) 4.35 7.35 -30.03 2 8 0 106 497.588 11 ↓

Activity (Go SEA)

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