UCSF

ZINC34941115

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4E,5R)-5-(3,4-dichlorophenyl)-4-[hydroxy-(3-propoxyphenyl)methylene]-1-(2-morpholinoethyl)pyrrolidi (4E,5R)-5-(3,4-dichlorophenyl)-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) 4.45 8.51 -56.17 0 7 -1 82 518.417 9 ↓
Mid Mid (pH 6-8) 4.45 10.79 -68.91 1 7 0 83 519.425 9 ↓
Lo Low (pH 4.5-6) 4.45 10.04 -54.35 2 7 1 81 520.433 9 ↓

Activity (Go SEA)

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