UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22039640
22039640
4846619
4846619

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Popular Name: 8-[2-(2-chlorophenoxy)ethyl]-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-7-one 8-[2-(2-chlorophenoxy)ethyl]-9,9…

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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) 2.78 -3.56 -15.23 0 5 0 63 337.784 4 ↓

Analogs

22039640
22039640

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethoxy]benzonitrile 3-chloro-4-[2-(1,1,3-trioxo-1,2-…

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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) 2.52 6.04 -16.57 0 6 0 87 362.794 4 ↓

Parameters Provided:

ring.id = 2348
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 = 2348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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