thymine   Click here for help

GtoPdb Ligand ID: 4581

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 65.72
Molecular weight 126.04
XLogP 0.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1c[nH]c(=O)[nH]c1=O
Isomeric SMILES Cc1c[nH]c(=O)[nH]c1=O
InChI InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChI Key RWQNBRDOKXIBIV-UHFFFAOYSA-N
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Equilibrative nucleoside transporter 2
Equilibrative nucleoside transporter 1 2
Sodium-dependent nucleobase transporter 1
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference