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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: 6-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 6-methyl-2-[[5-(trifluoromethyl)…

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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) 3.32 9.13 -12.86 0 4 0 47 351.353 4 ↓
Lo Low (pH 4.5-6) 3.32 9.53 -35.58 1 4 1 49 352.361 4 ↓

Analogs

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Popular Name: 4,5,6-trimethyl-2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxamide 4,5,6-trimethyl-2-[(7-methyl-4-o…

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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 6.43 -19.33 2 6 0 90 368.462 4 ↓

Analogs

39548345
39548345

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Popular Name: 2-(2-pyridylsulfanylmethyl)pyrido[2,1-b]pyrimidin-4-one 2-(2-pyridylsulfanylmethyl)pyrid…

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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 7.58 -15.08 0 4 0 47 269.329 3 ↓
Lo Low (pH 4.5-6) 2.58 7.85 -40.22 1 4 1 49 270.337 3 ↓

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(3-amino-2-pyridyl)sulfanylme…

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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) 2.42 6.18 -14.7 2 5 0 73 298.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanylmethyl]-7-chloro-pyrido[1,2-a]pyrimidin-4-one 2-[(3-amino-2-pyridyl)sulfanylme…

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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) 2.65 6.03 -11.98 2 5 0 73 318.789 3 ↓

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanylmethyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(3-amino-2-pyridyl)sulfanylme…

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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) 2.42 6.19 -14.19 2 5 0 73 298.371 3 ↓

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(3-amino-2-pyridyl)sulfanylme…

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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) 2.42 6.39 -15 2 5 0 73 298.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanylmethyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one 2-[(3-amino-2-pyridyl)sulfanylme…

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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) 2.78 6.14 -11.58 2 5 0 73 363.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(3-amino-2-pyridyl)sulfanylme…

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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) 2.02 5.53 -15.51 2 5 0 73 284.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(5-amino-2-pyridyl)sulfanylme…

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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) 2.64 6.1 -14.89 2 5 0 73 298.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanylmethyl]-7-chloro-pyrido[1,2-a]pyrimidin-4-one 2-[(5-amino-2-pyridyl)sulfanylme…

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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) 2.87 5.96 -12.2 2 5 0 73 318.789 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanylmethyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(5-amino-2-pyridyl)sulfanylme…

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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) 2.64 6.12 -14.45 2 5 0 73 298.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(5-amino-2-pyridyl)sulfanylme…

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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) 2.64 6.31 -15.24 2 5 0 73 298.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanylmethyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one 2-[(5-amino-2-pyridyl)sulfanylme…

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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) 3.00 6.07 -11.8 2 5 0 73 363.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(5-amino-2-pyridyl)sulfanylme…

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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) 2.24 5.45 -15.75 2 5 0 73 284.344 3 ↓

Parameters Provided:

ring.id = 44304
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 = 44304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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