UCSF

ZINC09423987

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 34 No

Popular Name: 5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(4-nitrobenzoyl)-5H-pyrrol-2- 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) 1.31 4.1 -57.46 2 11 -1 165 471.442 11 ↓
Mid Mid (pH 6-8) 1.76 3.06 -31.69 3 11 0 162 472.45 10 ↓
Mid Mid (pH 6-8) 0.73 -4.19 -23.36 2 11 0 159 472.45 11 ↓
Mid Mid (pH 6-8) 1.79 4.49 -7.24 0 5 0 42 322.43 3 ↓
Mid Mid (pH 6-8) 1.79 6.75 -40.05 1 5 1 43 323.438 3 ↓

Activity (Go SEA)

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