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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: 1-(4-bromophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone 1-(4-bromophenyl)-2-(3,5-dihydro…

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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) 3.57 7.77 -9.12 0 3 0 30 346.224 3 ↓
Mid Mid (pH 6-8) 3.57 9.81 -46.19 1 3 1 31 347.232 3 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-iodophenyl)ethanone 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.84 8.25 -8.92 0 3 0 30 393.224 3 ↓
Mid Mid (pH 6-8) 3.84 10.29 -46.04 1 3 1 31 394.232 3 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-hydroxyphenyl)ethanone 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.28 4.32 -11.01 1 4 0 50 283.327 3 ↓
Hi High (pH 8-9.5) 2.28 5.09 -44.46 0 4 -1 53 282.319 3 ↓
Mid Mid (pH 6-8) 2.28 6.35 -45.74 2 4 1 51 284.335 3 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(3-fluorophenyl)ethanone 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.90 7.22 -11.85 0 3 0 30 285.318 3 ↓
Mid Mid (pH 6-8) 2.90 9.25 -48.57 1 3 1 31 286.326 3 ↓

Analogs

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Popular Name: 1-(2-bromophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone 1-(2-bromophenyl)-2-(3,5-dihydro…

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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 7.77 -10.67 0 3 0 30 346.224 3 ↓
Mid Mid (pH 6-8) 3.52 9.81 -44.77 1 3 1 31 347.232 3 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone 1-(3-chlorophenyl)-2-(3,5-dihydr…

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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) 3.41 7.66 -10.89 0 3 0 30 301.773 3 ↓
Mid Mid (pH 6-8) 3.41 9.7 -47.21 1 3 1 31 302.781 3 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(p-tolyl)ethanone 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.21 7.83 -9.46 0 3 0 30 281.355 3 ↓
Mid Mid (pH 6-8) 3.21 9.87 -42.48 1 3 1 31 282.363 3 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone 1-(3-bromophenyl)-2-(3,5-dihydro…

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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) 3.54 7.76 -10.87 0 3 0 30 346.224 3 ↓
Mid Mid (pH 6-8) 3.54 9.8 -47.37 1 3 1 31 347.232 3 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanone 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.88 7.23 -13.44 0 3 0 30 285.318 3 ↓
Mid Mid (pH 6-8) 2.88 9.26 -46.78 1 3 1 31 286.326 3 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone 1-(4-chlorophenyl)-2-(3,5-dihydr…

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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) 3.44 7.67 -9.18 0 3 0 30 301.773 3 ↓
Mid Mid (pH 6-8) 3.44 9.71 -46.04 1 3 1 31 302.781 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone 1-(2-chlorophenyl)-2-(3,5-dihydr…

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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) 3.39 7.66 -11.11 0 3 0 30 301.773 3 ↓
Mid Mid (pH 6-8) 3.39 9.7 -45 1 3 1 31 302.781 3 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(o-tolyl)ethanone 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.16 7.83 -8.59 0 3 0 30 281.355 3 ↓
Mid Mid (pH 6-8) 3.16 9.87 -42.15 1 3 1 31 282.363 3 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(m-tolyl)ethanone 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.18 7.81 -9.65 0 3 0 30 281.355 3 ↓
Mid Mid (pH 6-8) 3.18 9.86 -42.58 1 3 1 31 282.363 3 ↓

Parameters Provided:

ring.id = 333441
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 = 333441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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