| Compound ID | ADA-UCB-6c2cb422-1 |
| ΔG / kcal M-1 | −8.28 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 6.14194607207391 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN9 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-6c2cb422-1_1 |
|
1.0 ± 0.3 |
|
|
||||