Compound ID | EN300-42270_1 |
ΔG / kcal M-1 | −10.5 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN5634 | MAT-POS-8a69d52e-7_1 |
|
EN300-42270_1_1 |
|
−3.7 ± 0.2 |
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