| Compound ID | DAR-DIA-6a508060-9 |
| ΔG / kcal M-1 | −10.9 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN142 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-9_1 |
|
−3.0 ± 0.4 |
|
|
||||
| RUN90 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-9_2 |
|
0.6 ± 0.4 |
|
|
||||