| Compound ID | LON-WEI-4d77710c-38 |
| ΔG / kcal M-1 | −16.2 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN227 | PET-UNK-29afea89-2_1 |
|
LON-WEI-4d77710c-38_1 |
|
−9.9 ± 0.2 |
|
|
||||
| RUN231 | PET-UNK-29afea89-2_1 |
|
LON-WEI-4d77710c-38_2 |
|
1.0 ± 0.2 |
|
|
||||