UCSF

ZINC17044388

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 35 No

Popular Name: (4E,5R)-5-(3,4-dimethoxyphenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)pyrrolidin (4E,5R)-5-(3,4-dimethoxyphenyl)-…

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) 2.62 8.35 -60.38 0 8 -1 101 473.505 9 ↓
Mid Mid (pH 6-8) 2.62 9.12 -15.68 1 8 0 98 474.513 9 ↓
Mid Mid (pH 6-8) 2.04 9.48 -15.27 0 8 0 95 474.513 9 ↓
Lo Low (pH 4.5-6) 2.04 9.76 -52.56 1 8 1 96 475.521 9 ↓
Lo Low (pH 4.5-6) 2.62 9.4 -48.13 2 8 1 99 475.521 9 ↓

Activity (Go SEA)

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