NF778

Ligand id: 9546

Name: NF778

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 29
Hydrogen bond donors 12
Rotatable bonds 22
Topological polar surface area 534.03
Molecular weight 1300.08
XLogP 3.39
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
GtoPdb PubChem SID 336446932
PubChem CID 126970681
Search Google for chemical match using the InChIKey RLZIFZVDVFDJNF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RLZIFZVDVFDJNF
Search UniChem for chemical match using the InChIKey RLZIFZVDVFDJNF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RLZIFZVDVFDJNF
Comments
NF778 is a P2X2 receptor antagonist [1]. Note that we show the salt (Na) stripped structure, but strictly NF778 is the sodium salt.