EN300-20496_2

molecule

Data

Compound ID EN300-20496_2
ΔG / kcal M-1 −13.6 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN2589 MAT-POS-8a69d52e-7_1 molecule EN300-20496_2_1 molecule −2.5 ± 0.3 work distributions convergence plot
RUN484 MAT-POS-8a69d52e-7_1 molecule EN300-20496_2_2 molecule −1.4 ± 0.2 work distributions convergence plot
Last updated 2020-11-11T21:58:21.019034+00:00
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