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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3490779
3490779

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Popular Name: N-methyl-4-(2-quinazolin-4-ylsulfanylacetyl)amino-benzamide N-methyl-4-(2-quinazolin-4-ylsul…

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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) 2.25 -3.3 -16.25 2 6 0 83 352.419 5 ↓

Analogs

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Popular Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[4-methyl-3-(methylsulfamoyl)p…

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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) 2.51 -6.38 -16.23 2 7 0 101 402.501 6 ↓

Analogs

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Popular Name: 2-[(2-quinazolin-4-ylsulfanylacetyl)amino]terephthalic 2-[(2-quinazolin-4-ylsulfanylace…

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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) 2.99 7.6 -105.38 1 8 -2 135 381.369 6 ↓

Analogs

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Popular Name: 2-(2-methylquinazolin-4-yl)sulfanyl-N-phenyl-acetamide 2-(2-methylquinazolin-4-yl)sulfa…

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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) 3.15 7.87 -12.22 1 4 0 55 309.394 4 ↓

Parameters Provided:

ring.id = 5206
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 = 5206 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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