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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-(2,5-dimethyl-3-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) 2.56 7.39 -9.84 0 4 0 49 272.3 2 ↓

Analogs

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Popular Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(3-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) 2.12 5.78 -9.06 0 4 0 49 244.246 2 ↓

Analogs

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Popular Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-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) 2.34 6.56 -10.33 0 4 0 49 258.273 2 ↓

Analogs

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Popular Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,5-dimethyl-3-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) 3.17 8.1 -8.36 0 4 0 49 306.745 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-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) 2.72 6.44 -9.94 0 4 0 49 278.691 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methyl-3-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) 2.95 7.29 -8.49 0 4 0 49 292.718 2 ↓

Analogs

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Popular Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,5-dimethyl-3-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) 3.30 8.19 -8.21 0 4 0 49 351.196 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-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) 2.86 6.55 -9.69 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)-(2-methyl-3-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) 3.08 7.39 -8.34 0 4 0 49 337.169 2 ↓

Parameters Provided:

ring.id = 16131
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 = 16131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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