| Compound ID | JAG-UCB-706446eb-7 |
| ΔG / kcal M-1 | −13.4 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN238 | MAT-POS-8a69d52e-7_1 |
|
JAG-UCB-706446eb-7_1 |
|
−1.6 ± 0.3 |
|
|
||||
| RUN232 | MAT-POS-8a69d52e-7_1 |
|
JAG-UCB-706446eb-7_2 |
|
−0.2 ± 0.3 |
|
|
||||