| Compound ID | SAM-UNK-2684b532-3 |
| ΔG / kcal M-1 | −9.4 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN145 | ADA-UCB-6c2cb422-1_1 |
|
SAM-UNK-2684b532-3_2 |
|
−2.4 ± 0.1 |
|
|
||||
| RUN140 | ADA-UCB-6c2cb422-1_1 |
|
SAM-UNK-2684b532-3_1 |
|
−0.2 ± 0.1 |
|
|
||||