| Compound ID | DAR-DIA-6a508060-4 |
| ΔG / kcal M-1 | −7.6 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN148 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-6a508060-4_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN147 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-6a508060-4_1 |
|
0.3 ± 0.1 |
|
|
||||