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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: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1H-pyrimidin-6-one 2-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.10 4.91 -10.63 1 5 0 64 258.277 2 ↓

Analogs

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Popular Name: 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-ethyl-1H-pyrimidin-6-one 2-(5-bromo-2,3-dihydro-1,4-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) 3.03 5.58 -9.79 1 5 0 64 337.173 2 ↓

Analogs

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Popular Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-ethyl-1H-pyrimidin-6-one 2-(5-chloro-2,3-dihydro-1,4-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) 2.90 5.46 -9.88 1 5 0 64 292.722 2 ↓

Analogs

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Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-isopropyl-1H-pyrimidin-6-one 2-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.58 5.58 -9.93 1 5 0 64 272.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-isopropyl-1H-pyrimidin-6-one 2-(5-bromo-2,3-dihydro-1,4-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) 3.51 6.22 -9.54 1 5 0 64 351.2 2 ↓

Analogs

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Popular Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-isopropyl-1H-pyrimidin-6-one 2-(5-chloro-2,3-dihydro-1,4-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) 3.38 6.11 -9.57 1 5 0 64 306.749 2 ↓

Analogs

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Popular Name: 4-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-one 4-tert-butyl-2-(2,3-dihydro-1,4-…

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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) 3.25 5.97 -9.89 1 5 0 64 286.331 2 ↓

Parameters Provided:

ring.id = 111022
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 = 111022 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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