| Compound ID | SAM-UNK-2684b532-11 |
| ΔG / kcal M-1 | −4.4 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN142 | ADA-UCB-6c2cb422-1_1 |
|
SAM-UNK-2684b532-11_1 |
|
3.5 ± 0.3 |
|
|
||||