Compound ID | JAN-GHE-83b26c96-4 |
ΔG / kcal M-1 | −6.7 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN24 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-4_1 |
|
1.3 ± 0.2 |
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