UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(5-oxo-1,4-diazepan-1-yl)quinoline-3-carbonitrile 2-(5-oxo-1,4-diazepan-1-yl)quino…

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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) 1.31 5.56 -11.9 1 5 0 69 266.304 1 ↓

Analogs

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Popular Name: 1-(4-methyl-7-methylsulfanyl-2-quinolyl)-1,4-diazepan-5-one 1-(4-methyl-7-methylsulfanyl-2-q…

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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) 2.71 6.82 -14.9 1 4 0 45 301.415 2 ↓
Mid Mid (pH 6-8) 2.71 6.83 -34.37 2 4 1 46 302.423 2 ↓

Parameters Provided:

ring.id = 386855
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 = 386855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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