MAK-UNK-83e0a0b4-3

molecule

Data

Compound ID MAK-UNK-83e0a0b4-3
ΔG / kcal M-1 −10.2 ± 0.4
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN220 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-83e0a0b4-3_1 molecule −2.3 ± 0.4 work distributions convergence plot
RUN246 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-83e0a0b4-3_2 molecule 2.8 ± 0.5 work distributions convergence plot
Last updated 2021-01-23T04:52:59.212565+00:00
Generated by fah-xchem version 0.1.0+68.g2513495.dirty