EN300-195924_3

molecule

Data

Compound ID EN300-195924_3
ΔG / kcal M-1 −11.5 ± 0.4
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN906 MAT-POS-b3e365b9-1_1 molecule EN300-195924_3_1 molecule −3.5 ± 0.4 work distributions convergence plot
RUN1530 MAT-POS-b3e365b9-1_1 molecule EN300-195924_3_2 molecule −2.3 ± 0.3 work distributions convergence plot
Last updated 2021-01-31T08:14:44.010582+00:00
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