UCSF

ZINC09463402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 No

Popular Name: 4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-hydroxy-3-methoxy-phenyl)-5H-pyrrol- 4-(4-ethoxybenzoyl)-3-hydroxy-1-…

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) 1.41 2.81 -64.82 2 9 -1 129 456.471 11 ↓
Mid Mid (pH 6-8) 1.85 1.7 -36.19 3 9 0 126 457.479 10 ↓
Mid Mid (pH 6-8) 0.82 2.72 -27.31 2 9 0 123 457.479 11 ↓

Activity (Go SEA)

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