UCSF

ZINC17781481

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 30 No

Popular Name: (4E,5R)-5-(4-allyloxyphenyl)-4-[hydroxy-(5-methyl-2-furyl)methylene]-1-(3-methoxypropyl)pyrrolidine- (4E,5R)-5-(4-allyloxyphenyl)-4-[…

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) 2.81 7.81 -61.71 0 7 -1 92 410.446 10 ↓
Mid Mid (pH 6-8) 2.81 8.63 -13.09 1 7 0 89 411.454 10 ↓
Mid Mid (pH 6-8) 2.23 9.22 -13.76 0 7 0 86 411.454 10 ↓

Activity (Go SEA)

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