UCSF

ZINC34941279

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4E,5S)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-fluorophenyl)-1-(2-morpholinoethyl)pyrrolidine-2 (4E,5S)-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) 3.89 8.84 -58.89 0 7 -1 82 481.544 10 ↓
Mid Mid (pH 6-8) 3.89 11.1 -76.61 1 7 0 83 482.552 10 ↓
Lo Low (pH 4.5-6) 3.89 10.34 -60.25 2 7 1 81 483.56 10 ↓

Activity (Go SEA)

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