UCSF

ZINC12759088

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 33 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol (5R)-1-(2-dimethylaminoethyl)-5-…

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) 2.46 8.9 -75.88 1 8 0 93 454.523 10 ↓
Hi High (pH 8-9.5) 2.46 6.35 -62.9 0 8 -1 91 453.515 10 ↓
Mid Mid (pH 6-8) 2.91 7.72 -60.52 2 8 1 90 455.531 9 ↓

Activity (Go SEA)

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