chemaxoncalcaccsites
Differences
This shows you the differences between two versions of the page.
Next revision | Previous revision | ||
chemaxoncalcaccsites [2012/10/11 23:13] – created rkiss | chemaxoncalcaccsites [2012/10/15 09:17] (current) – rkiss | ||
---|---|---|---|
Line 1: | Line 1: | ||
====== ChemAxon H-bond acceptor sites calculator ====== | ====== ChemAxon H-bond acceptor sites calculator ====== | ||
+ | |||
+ | {{: | ||
Number of hydrogen bond acceptor sites | Number of hydrogen bond acceptor sites | ||
Line 5: | Line 7: | ||
==== Options ==== | ==== Options ==== | ||
+ | == pH == | ||
- | pH | ||
Calculates the number of hydrogen bond acceptor sites of the major microspecies at the given pH (blank: input protonation state) | Calculates the number of hydrogen bond acceptor sites of the major microspecies at the given pH (blank: input protonation state) | ||
- | Exclude sulphur atom from acceptors | + | == Exclude sulphur atom from acceptors |
Calculates the number of hydrogen bond acceptor sites by excluding sulphur atoms | Calculates the number of hydrogen bond acceptor sites by excluding sulphur atoms | ||
- | Exclude halogens from acceptors | + | == Exclude halogens from acceptors |
Calculates the number of hydrogen bond acceptor sites by excluding halogens | Calculates the number of hydrogen bond acceptor sites by excluding halogens |
chemaxoncalcaccsites.1349997232.txt.gz · Last modified: 2012/10/11 23:13 by rkiss