| Compound ID | DAR-DIA-ecdbc7dd-14 |
| ΔG / kcal M-1 | −13.2 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2900 | PET-UNK-29afea89-2_1 |
|
DAR-DIA-ecdbc7dd-14_1 |
|
−6.9 ± 0.3 |
|
|
||||
| RUN2901 | PET-UNK-29afea89-2_1 |
|
DAR-DIA-ecdbc7dd-14_2 |
|
0.23 ± 0.08 |
|
|
||||