EN300-27341_2

molecule

Data

Compound ID EN300-27341_2
ΔG / kcal M-1 −16.9 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN5805 MAT-POS-b3e365b9-1_1 molecule EN300-27341_2_2 molecule −7.9 ± 0.3 work distributions convergence plot
RUN4222 MAT-POS-b3e365b9-1_1 molecule EN300-27341_2_1 molecule 6.8 ± 0.3 work distributions convergence plot
Last updated 2021-02-11T07:27:27.453800+00:00
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