Ligand id: 9534

Name: ATB-346

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 93.64
Molecular weight 365.11
XLogP 5.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Bioactivity Comments
H2S is liberated upon esterase-mediated cleavage and lactonization [11]. The GI-sparing nature of this drug is evidenced by exposure not causing significant GI injury in rodents and dogs, at high doses, or in animals with impaired mucosal defense [1,5,8].