Free Downloads: Tautomer

QUACPAC offers everything necessary to do charges well.

QUACPAC offers everything necessary to do charges well. As the chemistry of molecular interactions is a matter of shape and electrostatics, accurate or at least consistent charge representation is critical in drug design. However even the best charge models are of limited value if protonation states are wrong.

QUACPAC provides pKa and Tautomer enumeration in order to get...

Category: Home & Education / Miscellaneous
Publisher: OpenEye Scientific Software, Inc., License: Demo, Price: USD $0.00, File Size: 33.2 MB
Platform: Windows

Chemical database software for management of databases of any size, structure drawing, SDF import/export, duplicate removal, diversity analysis, chemical web server, combinatorial chemistry, prediction of LogP/LogC, and MASS/NMR/IR spectra management

ChemDBsoft is chemical database software for management of chemistry databases of any size. Data management features include: free structure drawer, 70+ template structures, fast and easy database creation, simple data views and browsing, easy database updates, import and export into various formats such as SDF and MOL, searches by structure and substructure, multiple database searches,...

Category: Home & Education
Publisher: A+ Scientific LLC, License: Shareware, Price: USD $50.00, File Size: 3.5 MB
Platform: Windows