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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: (2S)-N'-[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,1-b]pyrimidin-7-yl]-N,N-dimethyl-propane-1,2-diamine (2S)-N'-[6-(4-methoxyphenyl)-[1,…

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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) 2.18 12.17 -52.16 2 7 1 69 327.412 6 ↓
Hi High (pH 8-9.5) 2.18 9.47 -10.12 1 7 0 68 326.404 6 ↓

Analogs

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Popular Name: (2R)-N'-[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,1-b]pyrimidin-7-yl]-N,N-dimethyl-propane-1,2-diamine (2R)-N'-[6-(4-methoxyphenyl)-[1,…

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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) 2.18 12.16 -47.2 2 7 1 69 327.412 6 ↓
Hi High (pH 8-9.5) 2.18 9.51 -10.57 1 7 0 68 326.404 6 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-N-(3-propoxypropyl)-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine 6-(4-methoxyphenyl)-N-(3-propoxy…

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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) 2.96 11.02 -11.68 1 7 0 74 341.415 9 ↓

Analogs

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Popular Name: N-(3-isopropoxypropyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine N-(3-isopropoxypropyl)-6-(4-meth…

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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) 2.82 11 -11.73 1 7 0 74 341.415 8 ↓

Analogs

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Popular Name: 6-(3,4-dimethoxyphenyl)-N-isobutyl-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine 6-(3,4-dimethoxyphenyl)-N-isobut…

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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) 2.53 10.85 -13.12 1 7 0 74 327.388 6 ↓

Analogs

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Popular Name: 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine 6-(3,4-dimethoxyphenyl)-N-(2-met…

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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) 1.40 8.44 -13.36 1 8 0 83 329.36 7 ↓

Analogs

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Popular Name: N,N-diethyl-N'-[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,1-b]pyrimidin-7-yl]propane-1,3-diamine N,N-diethyl-N'-[6-(4-methoxyphen…

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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 12.77 -47.99 2 7 1 69 355.466 9 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine 6-(4-chlorophenyl)[1,2,4]triazol…

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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) 1.87 -2.58 -11.02 4 6 0 95 260.688 1 ↓

Parameters Provided:

ring.id = 97176
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 = 97176 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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