| Compound ID | LON-WEI-4d77710c-37 |
| ΔG / kcal M-1 | −10.9 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN220 | PET-UNK-29afea89-2_1 |
|
LON-WEI-4d77710c-37_1 |
|
−4.2 ± 0.2 |
|
|
||||