SMILES:
n1ccsc1OCC
Aroma Description:
musty, vegetable, roasted, nutty, burnt, phenolic, green, coffee, brothy, rubbery1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|
SMILES:
n1ccsc1OCC
Aroma Description:
musty, vegetable, roasted, nutty, burnt, phenolic, green, coffee, brothy, rubbery
| Receptor | Dock Score | Affinity | A100 | Correlated Perceptual Qualities |
|---|
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.
A100: A measure of the degree of activation of the receptor. See
Ibrahim et al (2019).