we're using pipeline pilot to calculate various physiochem properties for our molecules
for one of our projects we're using using glucose-6-phosphate
best I can tell the correct pKas for G6P are 0.94 and 6.11
pipeline pilot only returns a single value of 4.55
can you provide some insight; is there a place to adjust pH parameters, etc.?
Properties Values
LogD -4.071
ALogP -2.585
Molecular_Weight 260.13578
Molecular_PolarSurfaceArea 166.72
Molecular_Solubility 1.172
ADMET_Absorption_Level 3
ADMET_Unknown_AlogP98 0
ADMET_BBB_Level 4
ADMET_Solubility 0.672
ADMET_Solubility_Level 5
Phosphate_Acid_pka 4.55