| Compound ID | EDJ-MED-611d11e7-1 |
| ΔG / kcal M-1 | −13.7 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3486 | PET-UNK-29afea89-2_1 |
|
EDJ-MED-611d11e7-1_1 |
|
−7.0 ± 0.1 |
|
|
||||