| Compound ID | LON-WEI-4d77710c-53 |
| ΔG / kcal M-1 | −10.2 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN243 | PET-UNK-29afea89-2_1 |
|
LON-WEI-4d77710c-53_1 |
|
−3.9 ± 0.2 |
|
|
||||
| RUN245 | PET-UNK-29afea89-2_1 |
|
LON-WEI-4d77710c-53_2 |
|
−2.1 ± 0.2 |
|
|
||||