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Source Details

General Information relating to ZINC, and to the latest data release from this source in UniChem...


Parameter No. Parameter Value Parameter Description Parameter Scope
Parameter No. Parameter Value Parameter Description Parameter Scope
1 src_id 9 - General Info
2 name zinc Short name for source in UniChem General Info
3 Full name ZINC Full name in UniChem General Info
4 Label name ZINC name suitable for use as a Label in interface pages General Info
5 Source Created 11-MAR-12 Date when source was created in UniChem General Info
6 base URL available? 1 Does this source provide src_compound_id specific pages (1=yes, 0=No) General Info
7 base URL http://zinc.docking.org/substance/ If src_compound_id-specific pages are available, prepend this string to src_compound_id to create direct hyperlink to page in source General Info
8 Home page http://zinc.docking.org/ The home page for the source General Info
9 Description A free database of commercially-available compounds for virtual screening, provided by the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF). [Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82] A description of the source, often taken from the home page. General Info
10 Process of Data Acquisition SD file ('Standard', 'All Purchasable' of ~17.8 million) downloaded from source and InChis generated by UniChem A description of how the data is obtained from the source. General Info
11 Number or Date? date Sources may indicate the presence of updated data either with a release number, or simply by a date. General Info
12 aux_for_url 0 Flag to indicate whether this source requires auxiliary data to create hyperlinks to compound-specific pages in the source. 1=Yes, requires auxiliary data, 0=No. See FAQ for more information. General Info
13 keys_only 0 Flag to indicate whether InChIKeys only are provided by this source (no InChIs). 1=Yes, Only InChIKeys used. 0=No. See FAQ for more information. General Info
14 private 0 Flag to indicate whether this source is only available in private instances of UniChem. 1=Yes, a private source, 0=No. See FAQ for more information. General Info
15 Release created 13-MAR-12 The date when the latest release was loaded. Latest Release Info
16 Number of records loaded without comments 21739826 The number of records (ie:'Assignments') loaded from the source, without comments. Latest Release Info
17 Number of records loaded with comments Some records are loaded with a comment See 'Rules for Loading' page for further information. Latest Release Info
18 Number of records skipped Some data is not loaded into UniChem, for various reasons (eg: structures may be too large) ... See ' Rules for Loading' page for further information. Latest Release Info
19 src release date 12-MAR-12 If parameter 10 is 'date', then date on which file was downloaded from source, or last modification date of source file. Latest Release Info
20 src release number If parameter 10 is 'number', then Release number of latest data set from the source. Latest Release Info

Footnotes

** A discrepancy between these two numbers indicates that the current data set contains either multiple ids mapping to the same structure, or single ids mapping to multiple structures, or a combination of these. This should not be considered unusual, especially if the source does not use standard_inchi as the structure normalizer.


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