MIC-UNK-5a93dd5f-1

molecule

Data

Compound ID MIC-UNK-5a93dd5f-1
ΔG / kcal M-1 −7.9 ± 0.1
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1152 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_2 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1159 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_5 molecule −0.3 ± 0.2 work distributions convergence plot
RUN1157 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_3 molecule −0.1 ± 0.2 work distributions convergence plot
RUN1149 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_1 molecule 0.2 ± 0.2 work distributions convergence plot
RUN1156 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_6 molecule 2.4 ± 0.2 work distributions convergence plot
RUN1153 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_4 molecule 5.0 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:11:06.748777+00:00
Generated by fah-xchem version pre-sprint-5+114.gd1dd4c5