| Compound ID | PET-UNK-b1ef24dc-3 |
| ΔG / kcal M-1 | −8.1 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN690 | ADA-UCB-6c2cb422-1_1 |
|
PET-UNK-b1ef24dc-3_1 |
|
0.2 ± 0.3 |
|
|
||||