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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: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-methyl-2-furyl)methanone 3,4-dihydro-2H-1,5-benzodioxepin…

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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) 2.65 6.9 -8.44 0 4 0 49 258.273 2 ↓

Analogs

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Popular Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-nitro-2-furyl)methanone 3,4-dihydro-2H-1,5-benzodioxepin…

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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) 2.51 6.76 -9.27 0 7 0 95 289.243 3 ↓

Analogs

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Popular Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-methyl-2-furyl)methanone 3,4-dihydro-2H-1,5-benzodioxepin…

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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) 2.81 6.77 -8.68 0 4 0 49 258.273 2 ↓

Analogs

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Popular Name: (5-bromo-2-furyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone (5-bromo-2-furyl)-(3,4-dihydro-2…

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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) 3.36 6.81 -6.67 0 4 0 49 323.142 2 ↓

Analogs

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Popular Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methyl-2-furyl)methanone (7-chloro-3,4-dihydro-2H-1,5-ben…

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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 7.42 -8.24 0 4 0 49 292.718 2 ↓

Analogs

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Popular Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyl-2-furyl)methanone (7-chloro-3,4-dihydro-2H-1,5-ben…

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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) 3.41 7.28 -8.54 0 4 0 49 292.718 2 ↓

Analogs

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Popular Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-furyl)methanone (7-chloro-3,4-dihydro-2H-1,5-ben…

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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) 3.04 6.59 -8.64 0 4 0 49 278.691 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-furyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone (5-bromo-2-furyl)-(7-chloro-3,4-…

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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) 3.97 7.33 -6.16 0 4 0 49 357.587 2 ↓

Analogs

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Popular Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methyl-2-furyl)methanone (7-bromo-3,4-dihydro-2H-1,5-benz…

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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) 3.39 7.54 -7.94 0 4 0 49 337.169 2 ↓

Analogs

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Popular Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyl-2-furyl)methanone (7-bromo-3,4-dihydro-2H-1,5-benz…

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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 7.4 -8.29 0 4 0 49 337.169 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-furyl)methanone (7-bromo-3,4-dihydro-2H-1,5-benz…

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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) 3.17 6.71 -8.37 0 4 0 49 323.142 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-bromo-2-furyl)methanone (7-bromo-3,4-dihydro-2H-1,5-benz…

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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) 4.10 7.44 -6.04 0 4 0 49 402.038 2 ↓

Parameters Provided:

ring.id = 16129
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 = 16129 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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