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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: (6R)-N-(benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-(benzofuran-2-ylmethyl)-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) 1.61 7.92 -56.77 2 5 1 60 269.328 3 ↓
Hi High (pH 8-9.5) 1.61 6.76 -10.97 1 5 0 56 268.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(benzofuran-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-(benzofuran-2-ylmethyl)-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) 1.61 7.92 -57.65 2 5 1 60 269.328 3 ↓
Hi High (pH 8-9.5) 1.61 6.74 -12.19 1 5 0 56 268.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(benzofuran-2-ylmethyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-(benzofuran-2-ylmethyl)-2…

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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) 1.70 7.8 -57.18 2 5 1 60 283.355 3 ↓
Hi High (pH 8-9.5) 1.70 6.62 -11.37 1 5 0 56 282.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(benzofuran-2-ylmethyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-(benzofuran-2-ylmethyl)-2…

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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) 1.70 7.8 -58.08 2 5 1 60 283.355 3 ↓
Hi High (pH 8-9.5) 1.70 6.64 -11.48 1 5 0 56 282.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(benzofuran-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-(benzofuran-2-ylmethyl)-2…

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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) 2.27 8.41 -56.88 2 5 1 60 297.382 4 ↓
Hi High (pH 8-9.5) 2.27 7.23 -11.18 1 5 0 56 296.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(benzofuran-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-(benzofuran-2-ylmethyl)-2…

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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) 2.27 8.4 -57.79 2 5 1 60 297.382 4 ↓
Hi High (pH 8-9.5) 2.27 7.25 -11.18 1 5 0 56 296.374 4 ↓

Parameters Provided:

ring.id = 354842
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 = 354842 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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