EN300-22879_2

molecule

Data

Compound ID EN300-22879_2
ΔG / kcal M-1 −13.3 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1258 MAT-POS-8a69d52e-7_1 molecule EN300-22879_2_2 molecule −1.2 ± 0.4 work distributions convergence plot
RUN1562 MAT-POS-8a69d52e-7_1 molecule EN300-22879_2_1 molecule −1.0 ± 0.6 work distributions convergence plot
Last updated 2020-11-10T06:40:04.533889+00:00
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