| Compound ID | ALF-EVA-0b412456-5 |
| ΔG / kcal M-1 | −10.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2759 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-0b412456-5_2 |
|
−4.4 ± 0.2 |
|
|
||||
| RUN2758 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-0b412456-5_1 |
|
1.13 ± 0.09 |
|
|
||||