| Compound ID | MIC-UNK-42806bd5-2 |
| ΔG / kcal M-1 | −8.1 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN172 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-42806bd5-2_2 |
|
1.7 ± 0.5 |
|
|
||||
| RUN164 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-42806bd5-2_1 |
|
2.9 ± 0.6 |
|
|
||||