EN300-1644723_1

molecule

Data

Compound ID EN300-1644723_1
ΔG / kcal M-1 −10.0 ± 0.1
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN8829 MAT-POS-8a69d52e-7_1 molecule EN300-1644723_1_7 molecule −3.7 ± 0.2 work distributions convergence plot
RUN4878 MAT-POS-8a69d52e-7_1 molecule EN300-1644723_1_4 molecule −3.6 ± 0.3 work distributions convergence plot
RUN4898 MAT-POS-8a69d52e-7_1 molecule EN300-1644723_1_5 molecule −3.5 ± 0.2 work distributions convergence plot
RUN8953 MAT-POS-8a69d52e-7_1 molecule EN300-1644723_1_8 molecule −3.1 ± 0.3 work distributions convergence plot
RUN8528 MAT-POS-8a69d52e-7_1 molecule EN300-1644723_1_2 molecule −2.9 ± 0.2 work distributions convergence plot
RUN8328 MAT-POS-8a69d52e-7_1 molecule EN300-1644723_1_1 molecule −2.4 ± 0.2 work distributions convergence plot
RUN3730 MAT-POS-8a69d52e-7_1 molecule EN300-1644723_1_6 molecule −1.3 ± 0.2 work distributions convergence plot
RUN9265 MAT-POS-8a69d52e-7_1 molecule EN300-1644723_1_3 molecule −1.1 ± 0.2 work distributions convergence plot
Last updated 2020-12-04T06:00:16.780455+00:00
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