Table 3.
Global Reactivity Descriptors for the Homophymines family of antimicrobial marine cyclopeptides (all in eV, with the exception of S expressed in eV−1).
|
Molecule |
χ |
η |
ω |
S |
N |
ω− |
ω+ |
Δω ± |
|---|---|---|---|---|---|---|---|---|
|
Homophymine A |
3.719 |
5.263 |
1.314 |
0.190 |
2.442 |
4.817 |
1.098 |
5.915 |
|
Homophymine B |
3.827 |
5.655 |
1.295 |
0.177 |
2.138 |
4.856 |
1.029 |
5.885 |
|
Homophymine C |
3.746 |
5.143 |
1.364 |
0.194 |
2.475 |
4.923 |
1.177 |
6.100 |
|
Homophymine D |
3.626 |
5.265 |
1.248 |
0.190 |
2.534 |
4.638 |
1.013 |
5.651 |
|
Homophymine E |
3.534 |
4.833 |
1.293 |
0.207 |
2.842 |
4.654 |
1.120 |
5.774 |
|
Homophymine A1 |
3.703 |
5.214 |
1.315 |
0.192 |
2.483 |
4.807 |
1.104 |
5.910 |
|
Homophymine B1 |
3.437 |
5.001 |
1.181 |
0.200 |
2.855 |
4.394 |
0.957 |
5.350 |
|
Homophymine C1 |
3.570 |
5.085 |
1.253 |
0.197 |
2.680 |
4.610 |
1.039 |
5.649 |
|
Homophymine D1 |
3.531 |
5.132 |
1.215 |
0.195 |
2.695 |
4.516 |
0.985 |
5.501 |
|
Homophymine E1 |
3.955 |
5.015 |
1.560 |
0.199 |
2.330 |
5.410 |
1.455 |
6.866 |