Table 1.
Molecule | Affinity (kcal/mol) | H-bond donor | H-bond acceptor |
---|---|---|---|
Rifampicin |
-10.4 |
6 |
15 |
Rifapentine |
-9 |
6 |
15 |
Rifabutin Mycobutin |
-8 |
5 |
14 |
Zinc5220312 |
-5.2 |
5 |
7 |
Zinc5124992 |
-5 |
2 |
8 |
Zinc5220316 |
-4.7 |
5 |
7 |
Zinc5220339 |
-5.1 |
5 |
7 |
Zinc22173122 | -5.5 | 4 | 4 |