| Compound ID | MAK-UNK-c749d764-6 |
| ΔG / kcal M-1 | −8.2 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN464 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-c749d764-6_4 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN467 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-c749d764-6_3 |
|
2.3 ± 0.3 |
|
|
||||
| RUN468 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-c749d764-6_1 |
|
8.1 ± 0.4 |
|
|
||||
| RUN462 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-c749d764-6_2 |
|
11.8 ± 0.4 |
|
|
||||