| Compound ID | MIC-UNK-d36ab305-1 |
| ΔG / kcal M-1 | −7.8 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN975 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-d36ab305-1_1 |
|
−0.6 ± 0.2 |
|
|
||||
| RUN976 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-d36ab305-1_2 |
|
1.1 ± 0.1 |
|
|
||||