EN300-90142_2

molecule

Data

Compound ID EN300-90142_2
ΔG / kcal M-1 −10.0 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN406 MAT-POS-b3e365b9-1_1 molecule EN300-90142_2_1 molecule −2.0 ± 0.3 work distributions convergence plot
RUN446 MAT-POS-b3e365b9-1_1 molecule EN300-90142_2_4 molecule −0.8 ± 0.5 work distributions convergence plot
Last updated 2021-01-23T04:52:59.212565+00:00
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