Compound ID | EN300-6494158_3 |
ΔG / kcal M-1 | −14.4 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1368 | MAT-POS-8a69d52e-7_1 | EN300-6494158_3_2 | −1.8 ± 0.5 | ||||||||
RUN2126 | MAT-POS-8a69d52e-7_1 | EN300-6494158_3_4 | −1.6 ± 0.4 | ||||||||
RUN2070 | MAT-POS-8a69d52e-7_1 | EN300-6494158_3_3 | −1.0 ± 0.4 | ||||||||
RUN2300 | MAT-POS-8a69d52e-7_1 | EN300-6494158_3_1 | −0.5 ± 0.5 |