Compound ID | EN300-217107_1 |
ΔG / kcal M-1 | −10.0 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN5342 | MAT-POS-8a69d52e-7_1 | EN300-217107_1_4 | −3.5 ± 0.3 | ||||||||
RUN5878 | MAT-POS-8a69d52e-7_1 | EN300-217107_1_1 | −2.7 ± 0.3 | ||||||||
RUN8432 | MAT-POS-8a69d52e-7_1 | EN300-217107_1_2 | −2.4 ± 0.3 | ||||||||
RUN7576 | MAT-POS-8a69d52e-7_1 | EN300-217107_1_3 | −0.8 ± 0.4 |