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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: (6R)-N-[(E)-2-methyl-3-phenyl-allyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-[(E)-2-methyl-3-phenyl-al…

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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) 2.55 9.15 -55.68 2 4 1 47 269.372 4 ↓
Hi High (pH 8-9.5) 2.55 7.99 -8.05 1 4 0 43 268.364 4 ↓

Analogs

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Popular Name: (6S)-N-[(E)-2-methyl-3-phenyl-allyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-[(E)-2-methyl-3-phenyl-al…

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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) 2.55 9.15 -55.88 2 4 1 47 269.372 4 ↓
Hi High (pH 8-9.5) 2.55 7.97 -8.51 1 4 0 43 268.364 4 ↓

Analogs

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

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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) 2.00 8.68 -56.81 2 4 1 47 255.345 4 ↓
Hi High (pH 8-9.5) 2.00 7.53 -8.2 1 4 0 43 254.337 4 ↓

Analogs

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

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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) 2.00 8.67 -56.43 2 4 1 47 255.345 4 ↓
Hi High (pH 8-9.5) 2.00 7.51 -8.64 1 4 0 43 254.337 4 ↓

Analogs

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Popular Name: (6R)-N-[(E)-3-(2-methoxyphenyl)allyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-[(E)-3-(2-methoxyphenyl)a…

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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) 1.83 8.03 -56.74 2 5 1 57 285.371 5 ↓
Hi High (pH 8-9.5) 1.83 6.89 -9.73 1 5 0 52 284.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(E)-3-(2-methoxyphenyl)allyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-[(E)-3-(2-methoxyphenyl)a…

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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) 1.83 8.02 -56.05 2 5 1 57 285.371 5 ↓
Hi High (pH 8-9.5) 1.83 6.86 -9.9 1 5 0 52 284.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[(E)-2-methyl-3-phenyl-allyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6R)-2-methyl-N-[(E)-2-methyl-3-…

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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) 2.63 9.05 -56.6 2 4 1 47 283.399 4 ↓
Hi High (pH 8-9.5) 2.63 7.87 -9.62 1 4 0 43 282.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-methyl-N-[(E)-2-methyl-3-phenyl-allyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6S)-2-methyl-N-[(E)-2-methyl-3-…

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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) 2.63 9.05 -56.49 2 4 1 47 283.399 4 ↓
Hi High (pH 8-9.5) 2.63 7.89 -8.71 1 4 0 43 282.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(E)-3-(2-methoxyphenyl)allyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-am (6R)-N-[(E)-3-(2-methoxyphenyl)a…

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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) 1.92 7.92 -57.15 2 5 1 57 299.398 5 ↓
Hi High (pH 8-9.5) 1.92 6.75 -11.85 1 5 0 52 298.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(E)-3-(2-methoxyphenyl)allyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-am (6S)-N-[(E)-3-(2-methoxyphenyl)a…

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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) 1.92 7.91 -56.44 2 5 1 57 299.398 5 ↓
Hi High (pH 8-9.5) 1.92 6.77 -10.68 1 5 0 52 298.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-ethyl-N-[(E)-2-methyl-3-phenyl-allyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amin (6R)-2-ethyl-N-[(E)-2-methyl-3-p…

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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) 3.21 9.65 -56.39 2 4 1 47 297.426 5 ↓
Hi High (pH 8-9.5) 3.21 8.48 -9.41 1 4 0 43 296.418 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[(E)-2-methyl-3-phenyl-allyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amin (6S)-2-ethyl-N-[(E)-2-methyl-3-p…

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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) 3.21 9.65 -56.21 2 4 1 47 297.426 5 ↓
Hi High (pH 8-9.5) 3.21 8.5 -8.54 1 4 0 43 296.418 5 ↓

Parameters Provided:

ring.id = 338968
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 = 338968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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