Ligand id: 6784

Name: tacrolimus

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 178.36
Molecular weight 803.48
XLogP 3.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hamilton GS, Steiner JP. (1998)
Immunophilins: beyond immunosuppression.
J. Med. Chem.41 (26): 5119-43. [PMID:9857082]