| Compound ID | DAR-DIA-5ff57136-16 |
| ΔG / kcal M-1 | −12.6 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1228 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-16_1 |
|
−4.1 ± 0.1 |
|
|
||||
| RUN1231 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-16_2 |
|
−3.3 ± 0.1 |
|
|
||||