Ligand id: 2617

Name: aconitine

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 153.45
Molecular weight 645.31
XLogP 0.49
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Catterall WA, Morrow CS, Daly JW, Brown GB. (1981)
Binding of batrachotoxinin A 20-alpha-benzoate to a receptor site associated with sodium channels in synaptic nerve ending particles.
J. Biol. Chem., 256 (17): 8922-7. [PMID:6114956]
2. Nilius B, Boldt W, Benndorf K. (1986)
Properties of aconitine-modified sodium channels in single cells of mouse ventricular myocardium.
Gen. Physiol. Biophys., 5 (5): 473-84. [PMID:2433183]
3. Wright SN. (2002)
Comparison of aconitine-modified human heart (hH1) and rat skeletal (mu1) muscle Na+ channels: an important role for external Na+ ions.
J. Physiol. (Lond.), 538 (Pt 3): 759-71. [PMID:11826163]