Compound ID | EN300-139167_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 | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN2091 | MAT-POS-8a69d52e-7_1 | EN300-139167_1_2 | −1.7 ± 0.4 | ||||||||
RUN2099 | MAT-POS-8a69d52e-7_1 | EN300-139167_1_2 | −1.5 ± 0.3 | ||||||||
RUN2083 | MAT-POS-8a69d52e-7_1 | EN300-139167_1_2 | −1.5 ± 0.3 |