| Compound ID | EDJ-MED-e4b030d8-10 |
| ΔG / kcal M-1 | −10.1 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN293 | PET-UNK-29afea89-2_1 |
|
EDJ-MED-e4b030d8-10_1 |
|
−3.4 ± 0.4 |
|
|
||||