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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: (1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(2-thienyl)ethyl]ethanamine (1R)-1-(3,4-dihydro-2H-1,5-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) 3.54 8.84 -51.25 2 3 1 35 304.435 5 ↓
Mid Mid (pH 6-8) 3.54 7.58 -7.94 1 3 0 30 303.427 5 ↓

Analogs

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Popular Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(2-thienyl)ethyl]ethanamine (1S)-1-(3,4-dihydro-2H-1,5-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) 3.54 8.84 -50.8 2 3 1 35 304.435 5 ↓
Mid Mid (pH 6-8) 3.54 7.56 -6.18 1 3 0 30 303.427 5 ↓

Analogs

34992616
34992616

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Popular Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-thienyl)ethanamine N-[(6-chloro-3,4-dihydro-2H-1,5-…

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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) 3.78 7.27 -6.4 1 3 0 30 323.845 5 ↓
Lo Low (pH 4.5-6) 3.78 8.62 -52.26 2 3 1 35 324.853 5 ↓

Analogs

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Popular Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-thienyl)ethanamine N-[(6-bromo-3,4-dihydro-2H-1,5-b…

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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) 3.91 7.39 -6.26 1 3 0 30 368.296 5 ↓
Lo Low (pH 4.5-6) 3.91 8.74 -51.99 2 3 1 35 369.304 5 ↓

Parameters Provided:

ring.id = 61834
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 = 61834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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