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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-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1-(2-thienyl)ethanone 2-(1,3,4,5-tetrahydro-2-benzazep…

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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) 3.30 10.08 -39.34 1 2 1 22 272.393 3 ↓
Mid Mid (pH 6-8) 3.30 8.04 -8.26 0 2 0 20 271.385 3 ↓

Analogs

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Popular Name: 1-(5-bromo-2-thienyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone 1-(5-bromo-2-thienyl)-2-(1,3,4,5…

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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) 4.23 10.8 -40.73 1 2 1 22 351.289 3 ↓
Mid Mid (pH 6-8) 4.23 8.77 -6.49 0 2 0 20 350.281 3 ↓

Analogs

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Popular Name: 1-(5-ethyl-2-thienyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone 1-(5-ethyl-2-thienyl)-2-(1,3,4,5…

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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 11.68 -38.86 1 2 1 22 300.447 4 ↓
Mid Mid (pH 6-8) 4.09 9.67 -7.91 0 2 0 20 299.439 4 ↓

Analogs

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Popular Name: 1-(5-methyl-2-thienyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone 1-(5-methyl-2-thienyl)-2-(1,3,4,…

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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) 3.52 10.89 -38.91 1 2 1 22 286.42 3 ↓
Mid Mid (pH 6-8) 3.52 8.89 -8.26 0 2 0 20 285.412 3 ↓

Analogs

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Popular Name: 1-(5-chloro-2-thienyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone 1-(5-chloro-2-thienyl)-2-(1,3,4,…

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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) 4.10 10.69 -40.67 1 2 1 22 306.838 3 ↓
Mid Mid (pH 6-8) 4.10 8.66 -6.56 0 2 0 20 305.83 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromo-2-thienyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone 1-(3-bromo-2-thienyl)-2-(1,3,4,5…

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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) 4.04 10.69 -42.72 1 2 1 22 351.289 3 ↓
Mid Mid (pH 6-8) 4.04 8.66 -9.46 0 2 0 20 350.281 3 ↓

Parameters Provided:

ring.id = 314770
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 = 314770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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