| Compound ID | DAR-DIA-6a508060-8 |
| ΔG / kcal M-1 | −7.3 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN9 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-6a508060-8_1 |
|
0.2 ± 0.2 |
|
|
||||
| RUN118 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-6a508060-8_2 |
|
2.4 ± 0.3 |
|
|
||||