MIC-UNK-d36ab305-4

molecule

Data

Compound ID MIC-UNK-d36ab305-4
ΔG / kcal M-1 −9.2 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN244 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d36ab305-4_2 molecule −2.2 ± 0.2 work distributions convergence plot
RUN243 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d36ab305-4_1 molecule 0.5 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:17:11.317694+00:00
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