| Compound ID | RUB-POS-1325a9ea-4 |
| ΔG / kcal M-1 | −7.91 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | 6.2699593380916445 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1452 | ADA-UCB-6c2cb422-1_1 |
|
RUB-POS-1325a9ea-4_1 |
|
0.5 ± 0.1 |
|
|
||||