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ITC-Calculator
AK Barthels / Kersten
Institute of Pharmaceutical and Biomedical Sciences
ΔG / K
D
calculator
Displacement titration
Buffer ionization
Temperature optimization
Heavy atoms
-
Temperature
K
°C
°F
ΔG
kJ/mol
kcal/mol
K
D
mM
µM
nM
pM
cLogP
-
LE
kJ/(mol · HA)
kcal/(mol · HA)
LELP
(mol · HA)/kJ
(mol · HA)/kcal
LLE
-
LLE
AT
-
< sum Formula >
MW [g/mol]:
-
HA :
-
clogP :
-
calculate properties
Ligand affinity:
too weak
too strong
[Analyte]
mM
µM
nM
pM
K
D1
mM
µM
nM
pM
ΔH
1
kJ/mol
kcal/mol
Temperature
K
°C
°F
K
Dapp
mM
µM
nM
pM
ΔH
app
kJ/mol
kcal/mol
[L]
weak
mM
µM
nM
pM
K
D2
mM
µM
nM
pM
ΔG
kJ/mol
kcal/mol
ΔH
2
kJ/mol
kcal/mol
−TΔS
2
kJ/mol
kcal/mol
ΔG
kJ/mol
kcal/mol
n
proton
-
ΔH
bind
kJ/mol
kcal/mol
−TΔS
bind
kJ/mol
kcal/mol
ΔC
p
kJ/(mol · K)
T
H
°C
T
S
°C
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