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

12004899
12004899

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Popular Name: 1-[4-[(2R)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidyl]ethanone 1-[4-[(2R)-2,7-dimethyl-3,5-dihy…

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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) 2.18 0.73 -45.6 1 4 1 34 303.426 1 ↓

Analogs

12004891
12004891

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Popular Name: 1-[4-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidyl]ethanone 1-[4-[(2S)-2,7-dimethyl-3,5-dihy…

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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) 2.18 0.66 -45.72 1 4 1 34 303.426 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-methyl-4-piperidyl]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) 0.91 4.36 -113.36 4 4 2 45 277.412 2 ↓
Hi High (pH 8-9.5) 0.91 3.67 -40.85 3 4 1 43 276.404 2 ↓
Hi High (pH 8-9.5) 0.91 1.98 -46.37 3 4 1 43 276.404 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-ethyl-4-piperidyl]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) 1.28 5.02 -114.17 4 4 2 45 291.439 3 ↓
Hi High (pH 8-9.5) 1.28 2.79 -46.4 3 4 1 43 290.431 3 ↓
Hi High (pH 8-9.5) 1.28 4.33 -39.75 3 4 1 43 290.431 3 ↓

Parameters Provided:

ring.id = 72229
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 = 72229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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