UCSF

ZINC17138435

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 31 No

Popular Name: (4E,5R)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(3-pyridyl)pyrrolidine (4E,5R)-4-[(4-butoxy-3-methyl-ph…

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) 3.00 7.77 -64.87 0 7 -1 92 423.489 10 ↓
Mid Mid (pH 6-8) 3.00 7.87 -13.25 1 7 0 89 424.497 10 ↓
Mid Mid (pH 6-8) 2.41 8.22 -14.74 0 7 0 86 424.497 10 ↓
Lo Low (pH 4.5-6) 3.00 8.17 -40.28 2 7 1 90 425.505 10 ↓
Lo Low (pH 4.5-6) 2.41 8.52 -46.49 1 7 1 87 425.505 10 ↓

Activity (Go SEA)

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