DAR-DIA-5ff57136-12

molecule

Data

Compound ID DAR-DIA-5ff57136-12
ΔG / kcal M-1 −12.7 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN95 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-12_2 molecule −4.7 ± 0.2 work distributions convergence plot
RUN173 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-12_1 molecule −3.4 ± 0.2 work distributions convergence plot
Last updated 2021-01-31T08:14:44.010582+00:00
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