UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4,5-dihydro-1H-thieno[3,2-e][1,3]benzothiazol-2-one 4,5-dihydro-1H-thieno[3,2-e][1,3…

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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) 2.27 4.15 -7.44 1 2 0 33 209.295 0 ↓

Analogs

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Popular Name: 2-(2-oxo-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-1-yl)acetic 2-(2-oxo-4,5-dihydrothieno[3,2-e…

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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) 1.59 6.84 -55.62 0 4 -1 62 266.323 2 ↓

Analogs

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Popular Name: 3-(2-oxo-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-1-yl)propanoic 3-(2-oxo-4,5-dihydrothieno[3,2-e…

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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) 1.86 7.23 -52.69 0 4 -1 62 280.35 3 ↓

Analogs

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Popular Name: 4-(2-oxo-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-1-yl)butanoic 4-(2-oxo-4,5-dihydrothieno[3,2-e…

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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) 2.13 8 -52.67 0 4 -1 62 294.377 4 ↓

Parameters Provided:

ring.id = 210658
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 = 210658 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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