UCSF

ZINC34944004

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4E,5S)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-phenyl-pyrrolidine-2,3-d (4E,5S)-4-[(2,5-dimethylphenyl)-…

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) 3.35 9.63 -62.31 0 6 -1 73 433.528 7 ↓
Mid Mid (pH 6-8) 3.35 11.9 -78.25 1 6 0 74 434.536 7 ↓
Lo Low (pH 4.5-6) 3.35 11.01 -50.01 2 6 1 71 435.544 7 ↓

Activity (Go SEA)

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