adenine   Click here for help

GtoPdb Ligand ID: 4788

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 80.48
Molecular weight 135.05
XLogP -0.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1ncnc2c1[nH]cn2
Isomeric SMILES Nc1ncnc2c1[nH]cn2
InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Equilibrative nucleoside transporter 2
Equilibrative nucleoside transporter 3 1
Equilibrative nucleoside transporter 1 2
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference