| Compound ID | MAK-UNK-6ca90168-23 |
| ΔG / kcal M-1 | −6.9 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN132 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-6ca90168-23_1 |
|
1.0 ± 0.3 |
|
|
||||