DAR-DIA-5ff57136-16

molecule

Data

Compound ID DAR-DIA-5ff57136-16
ΔG / kcal M-1 −12.9 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN165 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-16_1 molecule −3.8 ± 0.2 work distributions convergence plot
RUN192 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-16_2 molecule −1.5 ± 0.1 work distributions convergence plot
Last updated 2021-02-11T07:27:27.453800+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty