aciclovir   Click here for help

GtoPdb Ligand ID: 4829

Synonyms: acyclovir | Zovirax®
Approved drug PDB Ligand
aciclovir is an approved drug (FDA (1982, prior history not available))
Compound class: Synthetic organic
Comment: Aciclovir is a nucleoside analogue antiviral drug.
Aciclovir is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019).
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 119.05
Molecular weight 225.09
XLogP -0.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OCCOCn1cnc2c1nc(N)[nH]c2=O
Isomeric SMILES OCCOCn1cnc2c1nc(N)[nH]c2=O
InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChI Key MKUXAQIIEYXACX-UHFFFAOYSA-N
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel