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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: 9-methyl-2-[[methyl(2-thienylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one 9-methyl-2-[[methyl(2-thienylmet…

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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) 2.79 7.85 -33.07 1 4 1 39 300.407 4 ↓
Mid Mid (pH 6-8) 2.79 7.53 -12.9 0 4 0 38 299.399 4 ↓

Analogs

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Popular Name: 2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[(5-chloro-2-thienyl)methyl-m…

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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 8.29 -36.49 1 4 1 39 334.852 4 ↓
Mid Mid (pH 6-8) 3.03 7.89 -12.43 0 4 0 38 333.844 4 ↓

Analogs

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Popular Name: 2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[(5-chloro-2-thienyl)methyl-m…

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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) 3.19 7.7 -37.85 1 4 1 39 320.825 4 ↓
Mid Mid (pH 6-8) 3.19 7.3 -13.2 0 4 0 38 319.817 4 ↓

Analogs

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Popular Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]pyrido[2,1-b]pyrimidin-4-one 2-[[allyl-[(5-chloro-2-thienyl)m…

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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) 3.84 8.86 -38.1 1 4 1 39 346.863 6 ↓
Mid Mid (pH 6-8) 3.84 8.46 -12.8 0 4 0 38 345.855 6 ↓

Analogs

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Popular Name: 7-methyl-2-[(methyl-(2-thienylmethyl)amino)methyl]pyrido[2,1-b]pyrimidin-4-one 7-methyl-2-[(methyl-(2-thienylme…

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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) 2.79 7.72 -35.05 1 4 1 39 300.407 4 ↓
Mid Mid (pH 6-8) 2.79 7.31 -12.72 0 4 0 38 299.399 4 ↓

Analogs

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Popular Name: 2-[[isopropyl-[(5-methyl-2-thienyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[isopropyl-[(5-methyl-2-thien…

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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) 3.29 8.9 -36.16 1 4 1 39 328.461 5 ↓
Mid Mid (pH 6-8) 3.29 10.67 -40.97 1 4 1 39 328.461 5 ↓
Mid Mid (pH 6-8) 3.29 8.5 -12.93 0 4 0 38 327.453 5 ↓

Parameters Provided:

ring.id = 158766
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 = 158766 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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