ZINC 12

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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)

• 8214589

Parameters Provided:

name.synonym = 1-Methylethyl hexadecanoate; AI3-05733; BRN 1786567; Crodamol IPP; Deltyl; Deltyl prime; EINECS 205-571-1; Emcol-IP; Emerest 2316; Estol 103; HSDB 2647; Hexadecanoic acid, 1-methylethyl ester; Hexadecanoic acid, isopropyl ester; Isopal; Isopalm; Isopropyl
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-Methylethyl hexadecanoate; AI3-05733; BRN 1786567; Crodamol IPP; Deltyl; Deltyl prime; EINECS 205-571-1; Emcol-IP; Emerest 2316; Estol 103; HSDB 2647; Hexadecanoic acid, 1-methylethyl ester; Hexadecanoic acid, isopropyl ester; Isopal; Isopalm; Isopropyl' 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-Methylethyl+hexadecanoate%3B+AI3-05733%3B+BRN+1786567%3B+Crodamol+IPP%3B+Deltyl%3B+Deltyl+prime%3B+EINECS+205-571-1%3B+Emcol-IP%3B+Emerest+2316%3B+Estol+103%3B+HSDB+2647%3B+Hexadecanoic+acid%2C+1-methylethyl+ester%3B+Hexadecanoic+acid%2C+isopropyl+ester%3B+Isopal%3B+Isopalm%3B+Isopropyl&filter.purchasability=all

Embed Link to Results

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