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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-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone 2-(2-aminophenyl)-1-(1,3,4,5-tet…

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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) 2.81 8.19 -9.63 2 3 0 46 280.371 2 ↓

Analogs

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

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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) 2.45 8.09 -10.32 2 3 0 46 280.371 2 ↓

Analogs

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

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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) 2.43 8.08 -10.41 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: (2S)-2-chloro-2-phenyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (2S)-2-chloro-2-phenyl-1-(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) 3.76 10.63 -9.4 0 2 0 20 299.801 2 ↓

Analogs

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Popular Name: (2R)-2-chloro-2-phenyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (2R)-2-chloro-2-phenyl-1-(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) 3.76 10.52 -8.4 0 2 0 20 299.801 2 ↓

Analogs

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Popular Name: (2R)-2-amino-2-phenyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (2R)-2-amino-2-phenyl-1-(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) 0.69 7.02 -10.12 2 3 0 46 280.371 2 ↓
Mid Mid (pH 6-8) 0.69 7.36 -43.53 3 3 1 48 281.379 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (2S)-2-amino-2-phenyl-1-(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) 0.69 6.84 -7.72 2 3 0 46 280.371 2 ↓
Mid Mid (pH 6-8) 0.69 7.17 -42.44 3 3 1 48 281.379 2 ↓

Analogs

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

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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) 2.87 7.36 -11.09 1 3 0 41 281.355 2 ↓

Parameters Provided:

ring.id = 314380
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 = 314380 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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