| Compound ID | BRU-CON-67e07230-1 |
| ΔG / kcal M-1 | −6.8 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN155 | ADA-UCB-6c2cb422-1_1 |
|
BRU-CON-67e07230-1_2 |
|
3.0 ± 0.3 |
|
|
||||
| RUN156 | ADA-UCB-6c2cb422-1_1 |
|
BRU-CON-67e07230-1_1 |
|
4.3 ± 0.3 |
|
|
||||