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Scientific Software Services :: Chemistry :: Molecular Modeling :: MolSuite DB™

MolSuite DB™ #83

MolSuite DB™

A collection of highly sought after literature values of the physicochemical properties of more than 20,000 compounds. All entries include three-dimensional structures calculated by molecular mechanics; any entry can be converted to SD format used in CambridgeSoft’s ChemFinder.
Values are complete with literature references and experimental conditions; multiple entries are listed where different literature values were found.

Data includes many of the following properties:

Chemical name and synonyms	3D MM optimized structure	Chemical Formula
CAS Registry Number	Beilstein Registry Number	Beilstein Reference
Heat of Formation	Entropy	n-Octanol/Water partition coefficient (log(p))
Vapor Pressure	Henry’s Law Constant	Cyclohexanol/Water partition coefficient
Water Solubility	pKa	Boiling Point
Melting Point	Density	Refractive Index

The program has its own search engine which provides:

Ability to query the Database by thousands of synonyms.

Ability to query the Database by:

CAS registry number	Beilstein Registry Number
Beilstein Reference	Chemical Formula
Property ranges	Molecular weights or molecular weight ranges
Substructure presence	Presence or absence of any structure

Ability to formulate query by using SMILES code

(Requires Windows 95, 98 or NT)

MolSuite DB - Packages & Pricing

MolSuite DB™	$ 499.00
MolSuite DB™, Academic	$ 399.00

SPECIAL: Buy Our MolSuite 2000 and SAVE!

MolSuite 2000

$ 999.00

More Information about MolSuite™ 2000!

Details

Price: $189.00 (€ 170.10)

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MolSuite

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