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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9111271
9111271

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-amino-1,3-benzothiazol-2-yl)-5-bromo-pyridine-3-sulfonamide N-(6-amino-1,3-benzothiazol-2-yl…

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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) 2.20 1.91 -44.86 2 6 -1 100 384.26 3 ↓
Mid Mid (pH 6-8) 3.12 2.23 -10.76 3 6 0 101 385.268 2 ↓
Lo Low (pH 4.5-6) 2.20 1.76 -31.37 4 6 1 99 386.276 3 ↓

Analogs

9111271
9111271

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide 5-bromo-N-(6-chloro-1,3-benzothi…

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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) 3.80 4.55 -37.85 0 5 -1 74 403.69 3 ↓
Mid Mid (pH 6-8) 3.80 4.7 -9.09 1 5 0 72 404.698 3 ↓

Analogs

37383666
37383666
9111271
9111271

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide 5-bromo-N-(6-methyl-1,3-benzothi…

Find On: PubMed — Wikipedia — Google

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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) 3.57 4.68 -43.5 0 5 -1 74 383.272 3 ↓
Mid Mid (pH 6-8) 3.57 4.83 -10.34 1 5 0 72 384.28 3 ↓

Parameters Provided:

ring.id = 5935
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 = 5935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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