SMILES:
[O-]C(=O)CC(O)(C(=O)[O-])CC(=O)[O-]
Aroma Description:
SMILES:
[O-]C(=O)CC(O)(C(=O)[O-])CC(=O)[O-]
Aroma Description:
Dock Score: This is a measure of whether the algorithm thinks the odorant is an agonist of the receptor.
Affinity: The binding affinity, in kJ/mol, of the ligand docked in the active or inactive model, whichever is greater.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.