EN300-260816_3

molecule

Data

Compound ID EN300-260816_3
ΔG / kcal M-1 −11.2 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1060 MAT-POS-b3e365b9-1_1 molecule EN300-260816_3_2 molecule −3.3 ± 0.3 work distributions convergence plot
RUN1763 MAT-POS-b3e365b9-1_1 molecule EN300-260816_3_1 molecule −1.0 ± 0.5 work distributions convergence plot
Last updated 2021-01-31T08:14:44.010582+00:00
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