Ligand id: 4102

Name: 2,4-epi-neodysiherbaine

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 166.82
Molecular weight 290.09
XLogP -3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GluK1 Hs Antagonist Antagonist - - -
GluK2 Hs Antagonist Antagonist - - -