Compound ID | EDJ-MED-50fe53e8-3 |
ΔG / kcal M-1 | −9.0 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN995 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-50fe53e8-3_1 |
|
1.0 ± 0.3 |
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