UCSF

ZINC33515462

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 35 No

Popular Name: (4E,5R)-4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-(2-diethylaminoethyl)-5-(3,4-dimethoxyphenyl)py (4E,5R)-4-[1,3-benzodioxol-5-yl(…

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) 2.70 8.91 -52.18 1 9 0 102 482.533 10 ↓
Hi High (pH 8-9.5) 2.70 6.59 -40.25 0 9 -1 101 481.525 10 ↓
Lo Low (pH 4.5-6) 2.70 7.78 -58.54 2 9 1 99 483.541 10 ↓

Activity (Go SEA)

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