EN300-6482296_1

molecule

Data

Compound ID EN300-6482296_1
ΔG / kcal M-1 −9.7 ± 0.1
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN5730 MAT-POS-8a69d52e-7_1 molecule EN300-6482296_1_7 molecule −3.6 ± 0.3 work distributions convergence plot
RUN9485 MAT-POS-8a69d52e-7_1 molecule EN300-6482296_1_6 molecule −3.3 ± 0.2 work distributions convergence plot
RUN8476 MAT-POS-8a69d52e-7_1 molecule EN300-6482296_1_4 molecule −3.0 ± 0.3 work distributions convergence plot
RUN3538 MAT-POS-8a69d52e-7_1 molecule EN300-6482296_1_5 molecule −2.5 ± 0.2 work distributions convergence plot
RUN3482 MAT-POS-8a69d52e-7_1 molecule EN300-6482296_1_2 molecule −2.5 ± 0.2 work distributions convergence plot
RUN8785 MAT-POS-8a69d52e-7_1 molecule EN300-6482296_1_1 molecule −2.2 ± 0.3 work distributions convergence plot
RUN2309 MAT-POS-8a69d52e-7_1 molecule EN300-6482296_1_8 molecule −1.7 ± 0.3 work distributions convergence plot
RUN9613 MAT-POS-8a69d52e-7_1 molecule EN300-6482296_1_3 molecule −1.2 ± 0.2 work distributions convergence plot
Last updated 2020-12-04T06:00:16.780455+00:00
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