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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: 4-(azetidin-3-yloxy)-2-methyl-pyrimidine 4-(azetidin-3-yloxy)-2-methyl-py…

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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) -0.09 0.7 -40.15 2 4 1 52 166.204 2 ↓
Hi High (pH 8-9.5) -0.09 -1 -6.13 1 4 0 47 165.196 2 ↓

Analogs

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Popular Name: 4-(azetidin-3-yloxy)-6-methyl-pyrimidine 4-(azetidin-3-yloxy)-6-methyl-py…

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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) 0.27 1.34 -40.53 2 4 1 52 166.204 2 ↓
Hi High (pH 8-9.5) 0.27 -0.36 -4.84 1 4 0 47 165.196 2 ↓

Analogs

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Popular Name: 4-(azetidin-3-yloxy)-6-propyl-pyrimidine 4-(azetidin-3-yloxy)-6-propyl-py…

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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) 1.34 2.91 -39.73 2 4 1 52 194.258 4 ↓
Hi High (pH 8-9.5) 1.34 1.21 -5.31 1 4 0 47 193.25 4 ↓

Analogs

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Popular Name: 4-(azetidin-3-yloxy)-6-ethyl-pyrimidine 4-(azetidin-3-yloxy)-6-ethyl-pyr…

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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) 0.84 2.13 -39.78 2 4 1 52 180.231 3 ↓
Hi High (pH 8-9.5) 0.84 0.43 -5.52 1 4 0 47 179.223 3 ↓

Analogs

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Popular Name: 4-(azetidin-3-yloxy)-6-isopropyl-pyrimidine 4-(azetidin-3-yloxy)-6-isopropyl…

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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) 1.32 2.57 -39.92 2 4 1 52 194.258 3 ↓
Hi High (pH 8-9.5) 1.32 0.87 -5.33 1 4 0 47 193.25 3 ↓

Analogs

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Popular Name: 4-(azetidin-3-yloxy)pyrimidine 4-(azetidin-3-yloxy)pyrimidine

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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) -0.17 0.73 -40.39 2 4 1 52 152.177 2 ↓
Hi High (pH 8-9.5) -0.17 -0.97 -4.86 1 4 0 47 151.169 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(azetidin-3-yloxy)-2-isopropyl-6-methyl-pyrimidine 4-(azetidin-3-yloxy)-2-isopropyl…

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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) 1.41 2.57 -41.06 2 4 1 52 208.285 3 ↓
Hi High (pH 8-9.5) 1.41 0.87 -4.8 1 4 0 47 207.277 3 ↓

Analogs

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Popular Name: 4-(azetidin-3-yloxy)-2,6-dimethyl-pyrimidine 4-(azetidin-3-yloxy)-2,6-dimethy…

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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) 0.35 1.29 -40.83 2 4 1 52 180.231 2 ↓
Hi High (pH 8-9.5) 0.35 -0.41 -5.22 1 4 0 47 179.223 2 ↓

Parameters Provided:

ring.id = 277540
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 = 277540 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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