Table 2.
Mean, standard deviation (std dev) and median values of the compound types for the eight molecular descriptors analysed in this study.
| Molecular Descriptor | Animalia (n = 104) |
Bacteria (n = 43) |
Fungi (n = 32) |
Overall (n = 179) |
|
|---|---|---|---|---|---|
| Molecular weight (g mol−1) | Mean | 611.8 | 491.2 | 403.4 | 545.6 |
| Std Dev | 390.4 | 196.4 | 132.7 | 327.5 | |
| Median | 441.1 | 432.4 | 436.5 | 436.5 | |
| Lipophilicity (LogP) | Mean | 3.7 | 2.2 | 2.3 | 3.1 |
| Std Dev | 4.0 | 1.8 | 1.1 | 3.3 | |
| Median | 4.1 | 2.4 | 2.1 | 3.2 | |
| Hydrogen bond donors | Mean | 3.2 | 2.7 | 1.3 | 2.8 |
| Std Dev | 3.5 | 1.6 | 0.8 | 2.9 | |
| Median | 2.0 | 2.0 | 1.0 | 2.0 | |
| Hydrogen bond acceptors | Mean | 11.0 | 10.1 | 7.7 | 10.2 |
| Std Dev | 12.9 | 6.4 | 2.3 | 10.4 | |
| Median | 7.0 | 8.5 | 7.3 | 7.5 | |
| Polar surface area (Å2) | Mean | 140.2 | 131.4 | 101.3 | 131.1 |
| Std Dev | 154.1 | 60.0 | 31.4 | 122.3 | |
| Median | 88.0 | 115.3 | 93.2 | 96.3 | |
| Rotatable bonds | Mean | 15.4 | 8.4 | 3.5 | 11.6 |
| Std Dev | 13.3 | 7.9 | 3.1 | 11.9 | |
| Median | 11.5 | 5.0 | 3.0 | 8.0 | |
| Water solubility (LogS) | Mean | −4.9 | −3.9 | −3.7 | −4.4 |
| Std Dev | 2.6 | 2.1 | 1.5 | 2.4 | |
| Median | −5.2 | −3.8 | −3.7 | −4.4 | |
| Polarisability | Mean | 54.7 | 46.0 | 38.7 | 49.8 |
| Std Dev | 30.9 | 17.7 | 12.4 | 26.3 | |
| Median | 43.3 | 41.8 | 41.7 | 42.9 |