UCSF

ZINC09020065

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 35 No

Popular Name: 5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(2-methoxyethyl)-5H-pyrro 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) 3.63 9.04 -60.48 1 8 -1 108 482.553 11 ↓
Mid Mid (pH 6-8) 3.05 8.04 -24.21 1 8 0 102 483.561 11 ↓
Mid Mid (pH 6-8) 4.08 7.02 -30.36 2 8 0 106 483.561 10 ↓

Activity (Go SEA)

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