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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: (2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-tetrahydropyran-4-yl-ethanamine (2R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 1.16 2.89 -48.69 3 4 1 49 277.388 3 ↓
Hi High (pH 8-9.5) 1.16 3.34 -4.75 2 4 0 48 276.38 3 ↓
Lo Low (pH 4.5-6) 1.16 4.43 -133.77 4 4 2 51 278.396 3 ↓

Analogs

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Popular Name: (2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-tetrahydropyran-4-yl-ethanamine (2S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 1.16 2.57 -50.88 3 4 1 49 277.388 3 ↓
Hi High (pH 8-9.5) 1.16 1.98 -4.55 2 4 0 48 276.38 3 ↓
Lo Low (pH 4.5-6) 1.16 4.43 -133.76 4 4 2 51 278.396 3 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)tetrahydropyran-4-carbaldehyde 4-(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) 1.89 6.63 -43.64 1 4 1 40 276.356 3 ↓
Mid Mid (pH 6-8) 1.89 5.13 -7.84 0 4 0 39 275.348 3 ↓

Analogs

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Popular Name: [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)tetrahydropyran-4-yl]methanamine [4-(3,5-dihydro-2H-1,4-benzoxaze…

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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) 0.87 3.11 -52.29 3 4 1 49 277.388 3 ↓
Lo Low (pH 4.5-6) 0.87 5.02 -120.18 4 4 2 51 278.396 3 ↓

Analogs

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Popular Name: 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)tetrahydropyran-4-yl]-N-methyl-methanamine 1-[4-(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) 1.85 5.34 -43.25 2 4 1 38 291.415 4 ↓
Lo Low (pH 4.5-6) 1.85 6.98 -111.98 3 4 2 40 292.423 4 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)tetrahydropyran-4-carboxylic 4-(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) 1.31 7.29 -40.38 1 5 0 63 291.347 3 ↓
Hi High (pH 8-9.5) 1.31 4.24 -50.51 0 5 -1 62 290.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)tetrahydropyran-4-yl]methanol [4-(3,5-dihydro-2H-1,4-benzoxaze…

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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) 1.44 4.38 -41.72 2 4 1 43 278.372 3 ↓
Mid Mid (pH 6-8) 1.44 2.53 -6.56 1 4 0 42 277.364 3 ↓

Parameters Provided:

ring.id = 333252
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 = 333252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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