UCSF

ZINC17162199

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 29 No

Popular Name: (4E,5S)-1-(2-dimethylaminoethyl)-5-(2-furyl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-d (4E,5S)-1-(2-dimethylaminoethyl)…

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) 2.60 8.53 -68.7 1 7 0 87 398.459 9 ↓
Lo Low (pH 4.5-6) 2.60 7.79 -46.77 2 7 1 84 399.467 9 ↓

Activity (Go SEA)

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