DAR-DIA-23e5a6a0-2

molecule

Data

Compound ID DAR-DIA-23e5a6a0-2
ΔG / kcal M-1 −9.9 ± 0.5
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN81 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-23e5a6a0-2_1 molecule −1.9 ± 0.6 work distributions convergence plot
RUN88 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-23e5a6a0-2_2 molecule −0.5 ± 0.3 work distributions convergence plot
Last updated 2021-01-23T04:52:59.212565+00:00
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