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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2S)-N-(5-acetyl-4-methyl-thiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(5-acetyl-4-methyl-thiazo…

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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) 2.01 7.38 -20.62 2 6 0 88 361.448 3 ↓
Hi High (pH 8-9.5) 2.20 4.33 -53.8 1 6 -1 94 360.44 3 ↓

Analogs

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Popular Name: (2R)-N-(5-acetyl-4-methyl-thiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(5-acetyl-4-methyl-thiazo…

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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) 2.01 5.88 -18.79 2 6 0 88 361.448 3 ↓
Hi High (pH 8-9.5) 2.20 4.4 -43.44 1 6 -1 94 360.44 3 ↓

Analogs

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Popular Name: (2S)-N-[5-(dimethylcarbamoyl)-4-methyl-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxami (2S)-N-[5-(dimethylcarbamoyl)-4-…

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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) 1.55 6.68 -23.69 2 7 0 91 390.49 3 ↓

Analogs

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Popular Name: (2R)-N-[5-(dimethylcarbamoyl)-4-methyl-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxami (2R)-N-[5-(dimethylcarbamoyl)-4-…

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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) 1.55 5.17 -21.77 2 7 0 91 390.49 3 ↓

Analogs

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Popular Name: (2R)-N-(4-tert-butylthiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(4-tert-butylthiazol-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) 3.60 6.9 -10.67 2 5 0 71 361.492 3 ↓

Analogs

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Popular Name: (2S)-N-(4-tert-butylthiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(4-tert-butylthiazol-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) 3.60 8.35 -12.24 2 5 0 71 361.492 3 ↓

Analogs

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Popular Name: (2S)-2-methyl-N-(5-methylthiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-N-(5-methylthiazol…

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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) 1.88 6.94 -18.67 2 5 0 71 319.411 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-(5-methylthiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-N-(5-methylthiazol…

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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) 1.88 5.42 -16.64 2 5 0 71 319.411 2 ↓

Parameters Provided:

ring.id = 559635
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 = 559635 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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