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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2R,6R)-6-methyl-2-piperidyl]methanone 3,5-dihydro-2H-1,4-benzoxazepin-…

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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) 1.94 6.39 -37.31 2 4 1 46 275.372 1 ↓
Hi High (pH 8-9.5) 1.94 5.23 -9.17 1 4 0 42 274.364 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2R,6S)-6-methyl-2-piperidyl]methanone 3,5-dihydro-2H-1,4-benzoxazepin-…

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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) 1.94 5.99 -40.3 2 4 1 46 275.372 1 ↓
Hi High (pH 8-9.5) 1.94 4.83 -9.11 1 4 0 42 274.364 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2S,6R)-6-methyl-2-piperidyl]methanone 3,5-dihydro-2H-1,4-benzoxazepin-…

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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) 1.94 5.87 -40.89 2 4 1 46 275.372 1 ↓
Hi High (pH 8-9.5) 1.94 4.75 -7.94 1 4 0 42 274.364 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2S,6S)-6-methyl-2-piperidyl]methanone 3,5-dihydro-2H-1,4-benzoxazepin-…

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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) 1.94 6.36 -38.18 2 4 1 46 275.372 1 ↓
Hi High (pH 8-9.5) 1.94 5.14 -8.58 1 4 0 42 274.364 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2S,3R)-3-methyl-2-piperidyl]methanone 3,5-dihydro-2H-1,4-benzoxazepin-…

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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) 1.85 5.97 -44.34 2 4 1 46 275.372 1 ↓
Mid Mid (pH 6-8) 1.85 4.43 -7.43 1 4 0 42 274.364 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2S,3S)-3-methyl-2-piperidyl]methanone 3,5-dihydro-2H-1,4-benzoxazepin-…

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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) 1.85 5.89 -40.91 2 4 1 46 275.372 1 ↓
Mid Mid (pH 6-8) 1.85 4.59 -8.57 1 4 0 42 274.364 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2R,3R)-3-methyl-2-piperidyl]methanone 3,5-dihydro-2H-1,4-benzoxazepin-…

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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) 1.85 6.43 -39.29 2 4 1 46 275.372 1 ↓
Mid Mid (pH 6-8) 1.85 5.18 -9.33 1 4 0 42 274.364 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2R,3S)-3-methyl-2-piperidyl]methanone 3,5-dihydro-2H-1,4-benzoxazepin-…

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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) 1.85 6.02 -44.02 2 4 1 46 275.372 1 ↓
Mid Mid (pH 6-8) 1.85 4.75 -8.41 1 4 0 42 274.364 1 ↓

Parameters Provided:

ring.id = 333526
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 = 333526 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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