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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: N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]aniline N-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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) 3.09 8.13 -41.4 2 3 1 26 269.368 4 ↓
Hi High (pH 8-9.5) 3.09 6.05 -5.45 1 3 0 24 268.36 4 ↓

Analogs

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Popular Name: 4-chloro-N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]aniline 4-chloro-N-[2-(3,5-dihydro-2H-1,…

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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) 3.77 8.64 -44.59 2 3 1 26 303.813 4 ↓
Hi High (pH 8-9.5) 3.77 6.57 -5.71 1 3 0 24 302.805 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-fluoro-aniline N-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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 8.21 -42.37 2 3 1 26 287.358 4 ↓
Hi High (pH 8-9.5) 3.21 6.14 -5.95 1 3 0 24 286.35 4 ↓

Analogs

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Popular Name: 3-chloro-N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]aniline 3-chloro-N-[2-(3,5-dihydro-2H-1,…

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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) 3.75 8.64 -44.17 2 3 1 26 303.813 4 ↓
Hi High (pH 8-9.5) 3.75 6.57 -5.53 1 3 0 24 302.805 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-fluoro-aniline N-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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) 3.23 8.19 -45.36 2 3 1 26 287.358 4 ↓
Hi High (pH 8-9.5) 3.23 6.12 -6.21 1 3 0 24 286.35 4 ↓

Analogs

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Popular Name: 3-bromo-N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]aniline 3-bromo-N-[2-(3,5-dihydro-2H-1,4…

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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) 3.88 8.75 -44.13 2 3 1 26 348.264 4 ↓
Hi High (pH 8-9.5) 3.88 6.68 -5.52 1 3 0 24 347.256 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-methyl-aniline N-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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) 3.49 8.92 -41.93 2 3 1 26 283.395 4 ↓
Hi High (pH 8-9.5) 3.49 6.85 -5.51 1 3 0 24 282.387 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-4-fluoro-aniline N-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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) 3.26 8.19 -45.81 2 3 1 26 287.358 4 ↓
Hi High (pH 8-9.5) 3.26 6.12 -6.45 1 3 0 24 286.35 4 ↓

Analogs

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Popular Name: 2-bromo-N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]aniline 2-bromo-N-[2-(3,5-dihydro-2H-1,4…

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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) 3.86 8.84 -41.58 2 3 1 26 348.264 4 ↓
Hi High (pH 8-9.5) 3.86 6.77 -5.3 1 3 0 24 347.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]aniline 2-chloro-N-[2-(3,5-dihydro-2H-1,…

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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) 3.72 8.72 -41.59 2 3 1 26 303.813 4 ↓
Hi High (pH 8-9.5) 3.72 6.65 -5.32 1 3 0 24 302.805 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-methyl-aniline N-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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 8.8 -41.48 2 3 1 26 283.395 4 ↓
Hi High (pH 8-9.5) 3.52 6.72 -5.56 1 3 0 24 282.387 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-4-methyl-aniline N-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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 8.8 -41.36 2 3 1 26 283.395 4 ↓
Hi High (pH 8-9.5) 3.54 6.73 -5.47 1 3 0 24 282.387 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]aniline N-[(2S)-2-(3,5-dihydro-2H-1,4-be…

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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) 3.42 8.73 -37.29 2 3 1 26 283.395 4 ↓
Hi High (pH 8-9.5) 3.42 6.96 -4.34 1 3 0 24 282.387 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]aniline N-[(2R)-2-(3,5-dihydro-2H-1,4-be…

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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) 3.42 8.72 -37.32 2 3 1 26 283.395 4 ↓
Hi High (pH 8-9.5) 3.42 6.86 -4.45 1 3 0 24 282.387 4 ↓

Analogs

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Popular Name: 4-bromo-N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]aniline 4-bromo-N-[2-(3,5-dihydro-2H-1,4…

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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) 3.90 8.75 -44.71 2 3 1 26 348.264 4 ↓
Hi High (pH 8-9.5) 3.90 6.68 -5.62 1 3 0 24 347.256 4 ↓

Parameters Provided:

ring.id = 333667
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 = 333667 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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