| Compound ID | ALF-EVA-0b412456-6 |
| ΔG / kcal M-1 | −12.6 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2760 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-0b412456-6_1 |
|
−6.3 ± 0.2 |
|
|
||||
| RUN2761 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-0b412456-6_2 |
|
0.8 ± 0.4 |
|
|
||||