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

Analogs

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Popular Name: 2-[2-[bis(2-methoxyethyl)amino]ethyl]-1,1-dioxo-thieno[3,2-e]thiazine-6-sulfonamide 2-[2-[bis(2-methoxyethyl)amino]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) 0.17 -3.47 -19.76 2 9 0 119 425.554 10 ↓
Hi High (pH 8-9.5) 0.17 -2.98 -49.34 1 9 -1 117 424.546 10 ↓

Analogs

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Popular Name: 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2-methyl-1,1-dioxo-thieno[3,2-e]thiazine-6-sulfonam 3-[[2-methoxyethyl(3-methoxyprop…

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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) 0.89 -1.68 -18.05 2 9 0 119 439.581 10 ↓
Hi High (pH 8-9.5) 0.89 -1.19 -45.91 1 9 -1 117 438.573 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[bis(2-methoxyethyl)amino]methyl]-2-(2-methoxyethyl)-1,1-dioxo-thieno[3,2-e]thiazine-6-sulfonamid 3-[[bis(2-methoxyethyl)amino]met…

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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) 0.61 -0.57 -16.05 2 10 0 128 469.607 12 ↓
Hi High (pH 8-9.5) 0.61 -3.2 -46.97 1 10 -1 126 468.599 12 ↓

Parameters Provided:

ring.id = 11236
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 = 11236 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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