| Compound ID | JAG-UCB-706446eb-5 |
| ΔG / kcal M-1 | −10.3 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN265 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-5_2 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN264 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-5_1 |
|
−1.8 ± 0.3 |
|
|
||||