Differences

This shows you the differences between two versions of the page.

--- chemaxoncalcpka [2012/10/11 23:04] – created rkiss
+++ chemaxoncalcpka [2012/10/15 09:12] (current) – rkiss
@@ Line 1: / Line 1: @@
 ====== ChemAxon pKa calculator ======
+{{:pka.png?800|}}
 Calculates protonation constants
-The pKa calculator generates the following properties
+==== The pKa calculator generates the following properties ====
-Negative charges: Number of negative charges on the major microspecies at the given pH
-Positive charges: Number of positive charges on the major microspecies at the given pH
+**Negative charges:** Number of negative charges on the major microspecies at the given pH
-Total charge: Total charge on the major microspecies at the given pH
-Number of charges: Number of charges on the major microspecies at the given pH
+**Positive charges:** Number of positive charges on the major microspecies at the given pH
-Strongest acidic pKa: Lowest acidic pKa
-Strongest basic pKa: Highest basic pKa
+**Total charge:** Total charge on the major microspecies at the given pH
+**Number of charges:** Number of charges on the major microspecies at the given pH
+**Strongest acidic pKa:** Lowest acidic pKa
+**Strongest basic pKa:** Highest basic pKa
 ==== Options ====
-Temperature (Kelvin)
+== Temperature (Kelvin) ==
 Calculates pKa values at the given temperature (in Kelvin)
-Tautomerization
+== Tautomerization ==
 Consider tautomerization and resonance
-pH
+== pH ==
 Calculates pKa values at the given pH. Not effective in Strongest acidic and basic pKa calculations.
-Minimum basic pKa
+== Minimum basic pKa ==
 Consider groups with a basic pKa above the given value
-Maximum acidic pKa
+== Maximum acidic pKa ==
 Consider groups with an acidic pKa below the given value