EN300-221518_1

molecule

Data

Compound ID EN300-221518_1
ΔG / kcal M-1 −13.5 ± 0.1
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1701 MAT-POS-8a69d52e-7_1 molecule EN300-221518_1_1 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1709 MAT-POS-8a69d52e-7_1 molecule EN300-221518_1_1 molecule −0.9 ± 0.2 work distributions convergence plot
RUN1693 MAT-POS-8a69d52e-7_1 molecule EN300-221518_1_1 molecule −0.9 ± 0.2 work distributions convergence plot
Last updated 2020-11-10T13:58:11.861182+00:00
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