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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-8-ylmethyl)piperazine 1-(2,3-dihydro-1,4-benzodioxin-8…

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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) 0.72 2.82 -41.34 2 4 1 38 235.307 2 ↓
Hi High (pH 8-9.5) 0.72 1.47 -5.76 1 4 0 34 234.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide 2-[4-(2,3-dihydro-1,4-benzodioxi…

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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 3.54 -38.26 2 7 1 64 350.439 7 ↓
Mid Mid (pH 6-8) 0.91 1.25 -11.58 1 7 0 63 349.431 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-(2-ethoxyethyl)piperazine 1-(2,3-dihydro-1,4-benzodioxin-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) 1.68 5.94 -34.5 1 5 1 35 307.414 6 ↓
Mid Mid (pH 6-8) 1.68 5.86 -35.49 1 5 1 35 307.414 6 ↓
Mid Mid (pH 6-8) 1.68 3.62 -6.84 0 5 0 34 306.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-(2-methoxyethyl)piperazine 1-(2,3-dihydro-1,4-benzodioxin-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) 1.30 4.89 -35.65 1 5 1 35 293.387 5 ↓
Mid Mid (pH 6-8) 1.30 2.63 -6.92 0 5 0 34 292.379 5 ↓
Mid Mid (pH 6-8) 1.30 4.97 -34.39 1 5 1 35 293.387 5 ↓

Parameters Provided:

ring.id = 28952
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 = 28952 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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