| Compound ID | EN300-157541_2 |
| ΔG / kcal M-1 | −13.2 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN7097 | MAT-POS-b3e365b9-1_1 |
|
EN300-157541_2_1 |
|
−4.2 ± 0.4 |
|
|
||||
| RUN1634 | MAT-POS-b3e365b9-1_1 |
|
EN300-157541_2_2 |
|
2.1 ± 0.3 |
|
|
||||