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

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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) 1.38 9.11 -62.22 2 6 1 65 329.815 4 ↓
Hi High (pH 8-9.5) 1.38 7.96 -11.75 1 6 0 61 328.807 4 ↓

Analogs

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

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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) 1.38 9.11 -62.88 2 6 1 65 329.815 4 ↓
Hi High (pH 8-9.5) 1.38 7.93 -12.78 1 6 0 61 328.807 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.70 8.59 -60.47 2 6 1 65 295.37 4 ↓
Hi High (pH 8-9.5) 0.70 7.44 -12.39 1 6 0 61 294.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.70 8.59 -60.98 2 6 1 65 295.37 4 ↓
Hi High (pH 8-9.5) 0.70 7.41 -13.4 1 6 0 61 294.362 4 ↓

Analogs

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Popular Name: (6R)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6R)-N-[(3,5-dimethyl-1-phenyl-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) 1.14 9.47 -60.85 2 6 1 65 323.424 4 ↓
Hi High (pH 8-9.5) 1.14 8.31 -13.2 1 6 0 61 322.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6S)-N-[(3,5-dimethyl-1-phenyl-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) 1.14 9.47 -60.21 2 6 1 65 323.424 4 ↓
Hi High (pH 8-9.5) 1.14 8.29 -13.22 1 6 0 61 322.416 4 ↓

Analogs

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

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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) 0.79 8.48 -60.83 2 6 1 65 309.397 4 ↓
Hi High (pH 8-9.5) 0.79 7.3 -13.25 1 6 0 61 308.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.79 8.48 -61.47 2 6 1 65 309.397 4 ↓
Hi High (pH 8-9.5) 0.79 7.32 -13.14 1 6 0 61 308.389 4 ↓

Parameters Provided:

ring.id = 353888
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 = 353888 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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