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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: N,5-dimethyl-N-[(1S)-1-(2-thienyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N,5-dimethyl-N-[(1S)-1-(2-thieny…

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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) 2.37 11.17 -13.58 0 5 0 46 273.365 3 ↓

Analogs

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Popular Name: N,5-dimethyl-N-[(1R)-1-(2-thienyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N,5-dimethyl-N-[(1R)-1-(2-thieny…

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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) 2.37 11.11 -13.11 0 5 0 46 273.365 3 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine N-[(5-chloro-2-thienyl)methyl]-N…

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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) 2.61 9.78 -14.18 0 5 0 46 293.783 3 ↓

Analogs

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Popular Name: 5-ethyl-N-[(3-methyl-2-thienyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5-ethyl-N-[(3-methyl-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) 2.51 10.35 -13.07 1 5 0 55 273.365 4 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N-[(5-bromo-2-thienyl)methyl]-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) 3.07 10.51 -14.02 1 5 0 55 338.234 4 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N-[(5-chloro-2-thienyl)methyl]-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) 2.94 10.41 -13.96 1 5 0 55 293.783 4 ↓

Analogs

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Popular Name: 5-methyl-N-[(1S)-1-(2-thienyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5-methyl-N-[(1S)-1-(2-thienyl)pr…

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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) 2.62 9.61 -13.68 1 5 0 55 273.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[(1R)-1-(2-thienyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5-methyl-N-[(1R)-1-(2-thienyl)pr…

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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) 2.62 10.32 -12.86 1 5 0 55 273.365 4 ↓

Analogs

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Popular Name: 5-methyl-N-[(1S)-1-(2-thienyl)butyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5-methyl-N-[(1S)-1-(2-thienyl)bu…

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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) 3.18 10.36 -13.67 1 5 0 55 287.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[(1R)-1-(2-thienyl)butyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5-methyl-N-[(1R)-1-(2-thienyl)bu…

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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) 3.18 11.09 -12.79 1 5 0 55 287.392 5 ↓

Parameters Provided:

ring.id = 86442
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 = 86442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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