Chemistry software

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Z406716 Aldrich® CH109 Chemical Calculator on 31/2 in. diskette This program functions not only as an advanced scientific calculator, but also calculates molecular weights, % C, % H, % isotope, and many other calculations. It handles complex expressions, chemical and biochemical abbreviations, and offers users the benefit of speed and accuracy in chemical, peptide, and isotope calculations.
Z262471 Chem3D Ultra standard "Ultimate modeling, visualization and analysis"
Brings workstation quality molecular visualization and display to your desktop. Includes CS MOPAC and set-up/control interfaces for optional use of GAMESS and Gaussian. Compute advanced physical properties with CLogP and ChemProp, and create SAR tables using property servers to generate data for lists of compounds. Use ChemSAR for Excel to explore structure activity relationships and use optional Conformer for con-formational searching. Publish and view models on the web using the Chem3D Plugin. Includes ChemDraw Standard.
• Model types: space filling CPK, ball and stick, stick, ribbons, VDW dot surfaces and wire-frame
• Compute and visualize partial charges
• 3D surface properties including MEP and orbital mapping
• Create 3D models from ChemDraw or ISIS Draw
• Polypeptide builder with residue recognition
• Supports: PDB, MDL Molfile, Beilstein ROSDAL, Tripos SYBYL MOL, EPS, PICT, GIF, 3DMF, TIFF, PNG and more
• ChemProp—advanced property predictions including CLogP, BP, MP, and more
• ChemSAR for Excel builds SAR tables
• Accept output from other 3D graphics modeling packages

Z262455 ChemDraw® Pro ChemDraw Standard
"Publication quality structure drawing"
• Draw and output structures and reactions in color
• Extensive collections of pre-defined structure templates
• Large choice of bonds, arrows, brackets, orbitals, and reaction symbols
• Style templates for most chemical journals
• ClipArt for glassware drawings
• Fully compatible with Chem3D, ChemFinder, ChemInfo, Microsoft® Word and Excel
• Output in PostScript®, EPS, GIF, SMILES and more
ChemDraw Pro
"Premier drawing and information query"
• Includes all the above features plus:
• Chemical intelligence understands valence and bonding, and expands groups and atom labels
• Right-button menus speed access to features
• Structure cleanup improves poor drawings
• Query databases precisely by specifying atom and bond properties, reaction centers, substituent counts, R-groups, and substructure
• Display spectra from SPC and JCAMP files
• Read ISIS® files with Mac®/Windows® cross-platform compatibility
• ChemDraw Plugin for WWW access and queries
• Use the new Online menu to query ChemACX.com by structure, identify available vendors, and order online
ChemDraw Ultra
"Ultimate drawing, query, and analysis"
• Includes all the above features plus:
• ChemDraw/Excel brings chemistry to Microsoft Excel
• ChemNMR predicts 1H and 13C NMR line spectra with peak-to-structure correlation
• Name=Struct/AutoNom creates structures from names and vice versa
• ChemProp computes physical properties, such as LogP, BP, MP, and more
• SDK allows operation and control of ChemDraw from other environments

Network versions are also available. Please inquire!
Z407100 ChemDraw® Standard ChemDraw Standard
"Publication quality structure drawing"
• Draw and output structures and reactions in color
• Extensive collections of pre-defined structure templates
• Large choice of bonds, arrows, brackets, orbitals, and reaction symbols
• Style templates for most chemical journals
• ClipArt for glassware drawings
• Fully compatible with Chem3D, ChemFinder, ChemInfo, Microsoft® Word and Excel
• Output in PostScript®, EPS, GIF, SMILES and more
ChemDraw Pro
"Premier drawing and information query"
• Includes all the above features plus:
• Chemical intelligence understands valence and bonding, and expands groups and atom labels
• Right-button menus speed access to features
• Structure cleanup improves poor drawings
• Query databases precisely by specifying atom and bond properties, reaction centers, substituent counts, R-groups, and substructure
• Display spectra from SPC and JCAMP files
• Read ISIS® files with Mac®/Windows® cross-platform compatibility
• ChemDraw Plugin for WWW access and queries
• Use the new Online menu to query ChemACX.com by structure, identify available vendors, and order online
ChemDraw Ultra
"Ultimate drawing, query, and analysis"
• Includes all the above features plus:
• ChemDraw/Excel brings chemistry to Microsoft Excel
• ChemNMR predicts 1H and 13C NMR line spectra with peak-to-structure correlation
• Name=Struct/AutoNom creates structures from names and vice versa
• ChemProp computes physical properties, such as LogP, BP, MP, and more
• SDK allows operation and control of ChemDraw from other environments

Network versions are also available. Please inquire!
Z262579 ChemOffice Pro, academic  
Z407135 ChemOffice Ultra