Compound ID | EN300-1911992_1 |
ΔG / kcal M-1 | −14.1 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN599 | MAT-POS-8a69d52e-7_1 | EN300-1911992_1_2 | −1.7 ± 0.4 | ||||||||
RUN1980 | MAT-POS-8a69d52e-7_1 | EN300-1911992_1_3 | −1.3 ± 0.4 | ||||||||
RUN2107 | MAT-POS-8a69d52e-7_1 | EN300-1911992_1_1 | −1.1 ± 0.5 |