EN300-42819_1

molecule

Data

Compound ID EN300-42819_1
ΔG / kcal M-1 −12.4 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN4946 MAT-POS-8a69d52e-7_1 molecule EN300-42819_1_2 molecule −5.6 ± 0.3 work distributions convergence plot
RUN4702 MAT-POS-8a69d52e-7_1 molecule EN300-42819_1_1 molecule −5.4 ± 0.3 work distributions convergence plot
Last updated 2020-12-04T06:00:16.780455+00:00
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