| Compound ID | JAN-GHE-5a013bed-1 |
| ΔG / kcal M-1 | −7.09 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 4.848858077681565 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN50 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-5a013bed-1_1 |
|
−0.6 ± 0.2 |
|
|
||||