Compound ID | EN300-90142_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 | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN5414 | MAT-POS-8a69d52e-7_1 | EN300-90142_1_4 | −3.7 ± 0.3 | ||||||||
RUN9557 | MAT-POS-8a69d52e-7_1 | EN300-90142_1_2 | −3.1 ± 0.3 | ||||||||
RUN5790 | MAT-POS-8a69d52e-7_1 | EN300-90142_1_1 | −2.5 ± 0.3 | ||||||||
RUN7896 | MAT-POS-8a69d52e-7_1 | EN300-90142_1_3 | −0.6 ± 0.3 |