Compound ID | EN300-42819_1 |
ΔG / kcal M-1 | −12.4 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN4946 | MAT-POS-8a69d52e-7_1 | EN300-42819_1_2 | −5.6 ± 0.3 | ||||||||
RUN4702 | MAT-POS-8a69d52e-7_1 | EN300-42819_1_1 | −5.4 ± 0.3 |