UCSF

ZINC34944319

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 No

Popular Name: (4E,5S)-5-(4-bromophenyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)pyrrolidin (4E,5S)-5-(4-bromophenyl)-4-[(2,…

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 9.49 -58.15 0 6 -1 73 498.397 6 ↓
Mid Mid (pH 6-8) 3.89 11.76 -72.2 1 6 0 74 499.405 6 ↓
Lo Low (pH 4.5-6) 3.89 10.87 -52.03 2 6 1 71 500.413 6 ↓

Activity (Go SEA)

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