UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-cyanoethyl-[[4-(2,5-dimethylphenyl)-5-thioxo-tetrazol-1-yl]methyl]amino]propanenitrile 3-[2-cyanoethyl-[[4-(2,5-dimethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.83 9.08 -19.3 0 7 0 86 341.444 7 ↓

Analogs

14286834
14286834
14286836
14286836

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Popular Name: 2-[[4-(3,4-dimethylphenyl)-5-thioxo-tetrazol-1-yl]methyl-propyl-amino]acetonitrile 2-[[4-(3,4-dimethylphenyl)-5-thi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 8.69 -14.14 0 6 0 63 316.434 6 ↓

Parameters Provided:

ring.id = 165416
filter.purchasability = annotated
page.format = targets
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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 165416 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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