Ligand id: 5276

Name: sapropterin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 2
Topological polar surface area 119.64
Molecular weight 241.12
XLogP -1.18
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Bélanger-Quintana A, Burlina A, Harding CO, Muntau AC. (2011)
Up to date knowledge on different treatment strategies for phenylketonuria.
Mol. Genet. Metab., 104 Suppl: S19-25. [PMID:21967857]
2. Teigen K, Dao KK, McKinney JA, Gorren AC, Mayer B, Frøystein NA, Haavik J, Martínez A. (2004)
Tetrahydrobiopterin binding to aromatic amino acid hydroxylases. Ligand recognition and specificity.
J. Med. Chem., 47 (24): 5962-71. [PMID:15537351]