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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: 2-fluoro-5-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)sulfamoyl]benzoic 2-fluoro-5-[(4,5,6,7-tetrahydrob…

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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) 2.54 4.38 -58.22 2 7 -1 115 397.429 5 ↓

Analogs

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Popular Name: 5-[[[(5R)-5-tert-butyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]sulfamoyl]-2-fluoro-benzoic 5-[[[(5R)-5-tert-butyl4,5,6,7-te…

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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) 4.09 6.39 -56.01 2 7 -1 115 453.537 6 ↓

Analogs

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Popular Name: 5-[[[(5S)-5-tert-butyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]sulfamoyl]-2-fluoro-benzoic 5-[[[(5S)-5-tert-butyl4,5,6,7-te…

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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) 4.09 6.4 -57.92 2 7 -1 115 453.537 6 ↓

Analogs

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Popular Name: 5-[[[(5R)-5-ethyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]sulfamoyl]-2-fluoro-benzoic 5-[[[(5R)-5-ethyl4,5,6,7-tetrahy…

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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) 3.27 5.62 -58.07 2 7 -1 115 425.483 6 ↓

Analogs

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Popular Name: 5-[[[(5S)-5-ethyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]sulfamoyl]-2-fluoro-benzoic 5-[[[(5S)-5-ethyl4,5,6,7-tetrahy…

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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) 3.27 5.62 -56.28 2 7 -1 115 425.483 6 ↓

Analogs

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Popular Name: 2-fluoro-5-[[[(5R)-5-methyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]sulfamoyl]benzoic 2-fluoro-5-[[[(5R)-5-methyl4,5,6…

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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) 2.77 4.97 -58.06 2 7 -1 115 411.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-5-[[[(5S)-5-methyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]sulfamoyl]benzoic 2-fluoro-5-[[[(5S)-5-methyl4,5,6…

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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) 2.77 4.97 -56.29 2 7 -1 115 411.456 5 ↓

Analogs

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Popular Name: N'-(3-bromophenyl)sulfonyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide N'-(3-bromophenyl)sulfonyl-4,5,6…

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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) 3.66 5.36 -14.11 2 5 0 75 415.334 4 ↓

Parameters Provided:

ring.id = 122406
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 = 122406 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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