EDG-MED-ba1ac7b9-31

molecule

Data

Compound ID EDG-MED-ba1ac7b9-31
ΔG / kcal M-1 −9.9 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN2743 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-31_4 molecule −4.0 ± 0.2 work distributions convergence plot
RUN2742 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-31_3 molecule 1.34 ± 0.07 work distributions convergence plot
RUN2740 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-31_2 molecule 1.74 ± 0.08 work distributions convergence plot
RUN2739 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-31_1 molecule 2.4 ± 0.3 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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