| Compound ID | MAK-UNK-c749d764-6 |
| ΔG / kcal M-1 | −8.1 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1199 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-c749d764-6_4 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN1202 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-c749d764-6_3 |
|
2.8 ± 0.9 |
|
|
||||
| RUN1203 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-c749d764-6_1 |
|
9.2 ± 0.8 |
|
|
||||
| RUN1197 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-c749d764-6_2 |
|
14.8 ± 0.6 |
|
|
||||