|
Name
to structure |
You do not have to draw a structure!
This is on the top left in
the structure page. |
You can generate a
structure by giving a name (IUPAC, synonym), CAS #, AKosNumber, InChI,
etc. |
|
Compare structures |
What is the right structure?
Removed in iSS lite. |
With a structure on
the screen or a name, CAS #, etc. in the text box you will get a grid
comparing the structures as they look in different databases. Great to
find errors. |
|
Compare activities |
What is the major activity of a compound?
Removed in iSS lite. |
With a structure on
the screen or a name, CAS #, etc. in the text box you will get a grid
comparing the pharmacological activities as reported in different
databases. |
|
Predict chemical properties |
What is the correct melting point?
Removed in iSS lite. |
With a structure on
the screen or a name, CAS #, etc. in the text box you will get a grid
with
GUSAR
calculated
physical properties and the links to calculated properties by
ACD Labs, and
EPI
Suite. |
|
Predict biological activities |
Which are the possible biological effects of a compound? |
With a structure on
the screen and after activating "SEARCH you will get a reliable
PASS prediction of effects, like
toxicities, biological activities, etc. |
|
Chemicalize |
What is the IUPAC name, or the logP, etc.
Included in the sources. |
With a structure on
the screen you will get a lot of calculated data. |
|
soon
to come |
Search peptides! |
This is a unique
application to
search structure-modified peptides You can analyze the results very easily. You
can also ask for all peptides that are „anti-inflammatory“. |
