ZINC 12

User Information

Page Size:

Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

• 593
• 2034850

Parameters Provided:

name.synonym = 1-Methylbutyl carbamate; 2-Pentanol, carbamate; AI3-51975; BRN 1751719; Carbamic acid, 1-methylbutyl ester; Hedonal; Hedonal (drug); Hedonal (pharmaceutical); LS-50075; Methylpropylcarbinol carbamate; NSC 27158
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '1-Methylbutyl carbamate; 2-Pentanol, carbamate; AI3-51975; BRN 1751719; Carbamic acid, 1-methylbutyl ester; Hedonal; Hedonal (drug); Hedonal (pharmaceutical); LS-50075; Methylpropylcarbinol carbamate; NSC 27158' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?name.synonym=1-Methylbutyl+carbamate%3B+2-Pentanol%2C+carbamate%3B+AI3-51975%3B+BRN+1751719%3B+Carbamic+acid%2C+1-methylbutyl+ester%3B+Hedonal%3B+Hedonal+%28drug%29%3B+Hedonal+%28pharmaceutical%29%3B+LS-50075%3B+Methylpropylcarbinol+carbamate%3B+NSC+27158&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "1-Methylbutyl carbamate; 2-Pentanol, carbamate; AI3-51975; BRN 1751719; Carbamic acid, 1-methylbutyl ester; Hedonal; Hedonal (drug); Hedonal (pharmaceutical); LS-50075; Methylpropylcarbinol carbamate; NSC 27158" }); </script>