| Compound ID | MIC-UNK-c66144cb-3 |
| ΔG / kcal M-1 | −9.7 ± 0.7 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN217 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-c66144cb-3_2 |
|
−0.8 ± 0.7 |
|
|
||||
| RUN214 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-c66144cb-3_1 |
|
6.0 ± 0.7 |
|
|
||||