Compound ID | EN300-1448603_1 |
ΔG / kcal M-1 | −15.8 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1015 | MAT-POS-8a69d52e-7_1 | EN300-1448603_1_2 | 1.8 ± 0.5 | ||||||||
RUN1007 | MAT-POS-8a69d52e-7_1 | EN300-1448603_1_2 | 4.3 ± 0.4 |