coenzyme A

Ligand id: 3044

Name: coenzyme A

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 22
Hydrogen bond donors 9
Rotatable bonds 20
Topological polar surface area 414.79
Molecular weight 767.12
XLogP -5.83
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Haapalainen AM, Meriläinen G, Pirilä PL, Kondo N, Fukao T, Wierenga RK. (2007)
Crystallographic and kinetic studies of human mitochondrial acetoacetyl-CoA thiolase: the importance of potassium and chloride ions for its structure and function.
Biochemistry, 46 (14): 4305-21. [PMID:17371050]