UCSF

ZINC34918319

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

Popular Name: (4E,5S)-5-(3-allyloxyphenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(4-pyridylmethyl)pyrrolidine-2 (4E,5S)-5-(3-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) 3.60 10.78 -57.93 0 7 -1 92 469.517 10 ↓
Lo Low (pH 4.5-6) 3.60 10.01 -13.84 1 7 0 89 470.525 10 ↓
Lo Low (pH 4.5-6) 3.60 10.48 -48.2 2 7 1 90 471.533 10 ↓

Activity (Go SEA)

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