EN300-65839_4

molecule

Data

Compound ID EN300-65839_4
ΔG / kcal M-1 −10.8 ± 0.4
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN667 MAT-POS-b3e365b9-1_1 molecule EN300-65839_4_2 molecule −2.9 ± 0.4 work distributions convergence plot
RUN808 MAT-POS-b3e365b9-1_1 molecule EN300-65839_4_1 molecule −0.4 ± 0.4 work distributions convergence plot
Last updated 2021-01-31T08:14:44.010582+00:00
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