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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)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-a (6R)-2-methyl-N-[(1-phenyltetraz…

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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) -0.10 6.51 -60.63 2 8 1 91 311.373 4 ↓
Mid Mid (pH 6-8) -0.10 5.85 -14.28 1 8 0 86 310.365 4 ↓

Analogs

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

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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) -0.10 6.51 -61.58 2 8 1 91 311.373 4 ↓
Mid Mid (pH 6-8) -0.10 5.97 -16.56 1 8 0 86 310.365 4 ↓

Analogs

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Popular Name: (6R)-N-[[1-(2-fluoro-5-methyl-phenyl)tetrazol-5-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazo (6R)-N-[[1-(2-fluoro-5-methyl-ph…

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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) 0.86 7.29 -62.48 2 8 1 91 343.39 4 ↓
Mid Mid (pH 6-8) 0.86 6.15 -16.89 1 8 0 86 342.382 4 ↓

Analogs

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Popular Name: (6S)-N-[[1-(2-fluoro-5-methyl-phenyl)tetrazol-5-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazo (6S)-N-[[1-(2-fluoro-5-methyl-ph…

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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) 0.86 7.28 -64.05 2 8 1 91 343.39 4 ↓
Mid Mid (pH 6-8) 0.86 6.13 -19.25 1 8 0 86 342.382 4 ↓

Analogs

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Popular Name: (6R)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-am (6R)-2-ethyl-N-[(1-phenyltetrazo…

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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) 0.47 7.12 -60.35 2 8 1 91 325.4 5 ↓
Mid Mid (pH 6-8) 0.47 6.45 -14.07 1 8 0 86 324.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-am (6S)-2-ethyl-N-[(1-phenyltetrazo…

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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) 0.47 7.12 -61.23 2 8 1 91 325.4 5 ↓
Mid Mid (pH 6-8) 0.47 6.58 -16.35 1 8 0 86 324.392 5 ↓

Analogs

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Popular Name: (6R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridi (6R)-N-[[1-(2,6-dimethylphenyl)t…

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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) 1.03 8.17 -58.18 2 8 1 91 325.4 4 ↓
Mid Mid (pH 6-8) 1.03 7.03 -13.41 1 8 0 86 324.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridi (6S)-N-[[1-(2,6-dimethylphenyl)t…

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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) 1.03 8.18 -58.87 2 8 1 91 325.4 4 ↓
Mid Mid (pH 6-8) 1.03 7.01 -15.32 1 8 0 86 324.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[[1-(2-fluoro-5-methyl-phenyl)tetrazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6R)-N-[[1-(2-fluoro-5-methyl-ph…

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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) 0.77 7.41 -62.21 2 8 1 91 329.363 4 ↓
Mid Mid (pH 6-8) 0.77 6.26 -16.4 1 8 0 86 328.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[1-(2-fluoro-5-methyl-phenyl)tetrazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6S)-N-[[1-(2-fluoro-5-methyl-ph…

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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) 0.77 7.4 -63.71 2 8 1 91 329.363 4 ↓
Mid Mid (pH 6-8) 0.77 6.24 -18.64 1 8 0 86 328.355 4 ↓

Parameters Provided:

ring.id = 486831
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 = 486831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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