UCSF
Protomer Properties
Molecular Weight [g/mol]
xlogP
Net Charge
Rotatable Bonds
Polar Surface Area [Ų]
Hydrogen Donors
Hydrogen Acceptors
Polar Desolvation [kcal/mol]
Apolar Desolvation [kcal/mol]
ZINC Database
Targets

ChEMBL/Swissprot

Clustered Target

Classification

Taxonomy

Reactome

? — Single character wildcard, * — Multiple character wildcard
Structural Similarity
Vendors

Use this page to select vendors or vendor types to search. By default, "Fast" and "On-Demand" is selected, meaning that only molecules that can be delivered in under 10 weeks will appear in the results. To add boutique (often more expensive) compounds, or even compounds that are not for sale (e.g. PubChem, ChEMBL), use the not-for-sale buttons, respectively, in the lower left.

You may search for individual vendor codes using the input panel at the bottom right. You may paste in many vendor codes to use in a single search using the "Paste Codes" button. Finally, you may use the + button to the right of vendor codes to add one additional row at a time.

You may choose individual catalogs from the right panel using the plus (+) button, or by dragging them to the left panel. You may deselect vendors by clicking on the (-) or dragging them back to the right hand side. You may search for vendors using the Search Vendors panel. Finally, you may clear your current selection with the clear button.

When you are ready to search, use the Run Query button. To combine Vendor search with other search types, use the Combination tab.

Vendor Speed/Availability

Rings

Search for Substances with Ring(s)

Specify partial ring names, e.g. "anthra" or partial smiles, "c1ccn*". A wildcard is needed with SMILES, not with names. The SMILES are obviously ideosyncratic and thus not a reliable way to search. This feature has been provided in the hope that it may be useful. To search using multiple rings at once, use the (+) button.

NB as of March 13, 2012, only about 10% of the molecules in ZINC have been processed for rings. We expect to have 95% coverage by April 1, 2012.

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? — Single character wildcard, * — Multiple character wildcard