UCSF

ZINC34934688

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 No

Popular Name: (4E,5R)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-d (4E,5R)-4-[(3-ethoxyphenyl)-hydr…

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) 2.73 8.13 -62.76 0 9 -1 125 425.417 9 ↓
Lo Low (pH 4.5-6) 2.73 7.36 -21.81 1 9 0 122 426.425 9 ↓

Activity (Go SEA)

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