UCSF

ZINC33758260

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 No

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

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) 5.55 14.91 -50.36 1 6 0 74 478.633 13 ↓
Hi High (pH 8-9.5) 5.55 12.69 -44.1 0 6 -1 73 477.625 13 ↓
Lo Low (pH 4.5-6) 5.55 13.78 -47.09 2 6 1 71 479.641 13 ↓

Activity (Go SEA)

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