| Compound ID | JAG-UCB-706446eb-3 |
| ΔG / kcal M-1 | −5.5 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN0 | MAT-POS-8a69d52e-7_1 |
|
JAG-UCB-706446eb-3_1 |
|
2.4 ± 0.2 |
|
|
||||