saxitoxin

Ligand id: 2625

Name: saxitoxin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 3
Topological polar surface area 184.81
Molecular weight 299.13
XLogP -2.59
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Database Links
CAS Registry No. 35523-89-8 (source: Scifinder)
ChEBI CHEBI:34970
ChEMBL Ligand CHEMBL501134
PubChem CID 37165
Search Google for chemical match using the InChIKey RPQXVSUAYFXFJA-HGRQIUPRSA-N
Search Google for chemicals with the same backbone RPQXVSUAYFXFJA
Search UniChem for chemical match using the InChIKey RPQXVSUAYFXFJA-HGRQIUPRSA-N
Search UniChem for chemicals with the same backbone RPQXVSUAYFXFJA
Wikipedia Saxitoxin