Ligand id: 6650

Name: propylthiouracil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 73.22
Molecular weight 170.05
XLogP 1.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Nakashima T, Taurog A, Riesco G. (1978)
Mechanism of action of thioureylene antithyroid drugs: factors affecting intrathyroidal metabolism of propylthiouracil and methimazole in rats.
Endocrinology, 103 (6): 2187-97. [PMID:748042]