clogP Acid/Neutral/Base pKa pH % ionisation logD
IC50 (nM) Heavy Atom Count
(HAC)
clogP Ligand
Efficiency
(LE)
Ligand Lipophilic
Efficiency
(LLE)
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Primary Pharmacology (IC50) nM Multiple of IC50
(set at x3)
MW
(g/mol)
Vd
 (L/Kg)
Cl
(mL/min/Kg)
Dose interval (h)  Number
of doses
Absorption Rate Constant
(h-1)
 
 
Subject Weight (Kg) (Set at 70) Absorption%
(set at 100)
PPB%
(set at 90)
Dose Size
(mg)
F% Half-life
(h)
Cmax (free)
(nM)
tmax (h)