UCSF

ZINC34942134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 No

Popular Name: (4E,5R)-5-(4-chlorophenyl)-1-(2-diethylaminoethyl)-4-[hydroxy-(3-propoxyphenyl)methylene]pyrrolidine (4E,5R)-5-(4-chlorophenyl)-1-(2-…

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) 4.75 12.23 -68.08 1 6 0 74 470.997 11 ↓
Lo Low (pH 4.5-6) 4.75 11.46 -49.37 2 6 1 71 472.005 11 ↓

Activity (Go SEA)

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