Table 1.
Names, IUPAC names, DOCK and Fred docking scores, and LogP estimates of the selected compounds.
| Name | IUPAC Name | DOCK6 Score | FRED Score | LogP |
|---|---|---|---|---|
| BPA | benzylphosphonic acid | −26.72 | −10.11 | 0.55 |
| PhoThr | (2S,3R)-2-amino-3-phosphonooxybutanoic acid | −26.42 | −10.97 | −1.33 |
| PhoSer | (2S)-2-amino-3-(phosphonooxy)propanoic acid | −27.38 | −9.29 | −1.75 |
| N7G | (2R,3R,4S,5S,6R)-2-(heptyloxy)-6- (hydroxymethyl)oxane-3,4,5-triol |
−33.50 | −4.66 | 0.37 |
| N8G | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6- (octyloxy)oxane-3,4,5-triol |
−33.22 | −4.26 | 0.81 |
| N9G | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6- (nonyloxy)oxane-3,4,5-triol |
−32.81 | −4.31 | 1.26 |