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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: 5-(2-methyl-1,2,4-triazol-3-yl)pyridin-3-amine 5-(2-methyl-1,2,4-triazol-3-yl)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) 0.13 2.32 -10.24 2 5 0 70 175.195 1 ↓
Lo Low (pH 4.5-6) 0.13 2.78 -38.38 3 5 1 71 176.203 1 ↓

Analogs

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Popular Name: 5-(2-ethyl-1,2,4-triazol-3-yl)pyridin-3-amine 5-(2-ethyl-1,2,4-triazol-3-yl)py…

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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) 0.51 3.1 -9.93 2 5 0 70 189.222 2 ↓
Lo Low (pH 4.5-6) 0.51 3.56 -38.32 3 5 1 71 190.23 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pyridin-3-amine 5-(2,5-dimethyl-1,2,4-triazol-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) 0.22 2.22 -10.84 2 5 0 70 189.222 1 ↓
Lo Low (pH 4.5-6) 0.22 2.68 -38.85 3 5 1 71 190.23 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)pyridin-3-amine 5-(5-ethyl-2-methyl-1,2,4-triazo…

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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 2.83 -10.63 2 5 0 70 203.249 2 ↓
Lo Low (pH 4.5-6) 0.79 3.29 -38.62 3 5 1 71 204.257 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pyridin-3-amine 5-(2-methyl-5-propyl-1,2,4-triaz…

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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) 1.30 3.59 -10.38 2 5 0 70 217.276 3 ↓
Lo Low (pH 4.5-6) 1.30 4.05 -38.51 3 5 1 71 218.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)pyridin-3-amine 5-(5-isopropyl-2-methyl-1,2,4-tr…

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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) 1.28 3.28 -10.6 2 5 0 70 217.276 2 ↓
Lo Low (pH 4.5-6) 1.28 3.74 -38.42 3 5 1 71 218.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)pyridin-3-amine 5-(5-tert-butyl-2-methyl-1,2,4-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) 1.94 3.84 -10.44 2 5 0 70 231.303 2 ↓
Lo Low (pH 4.5-6) 1.94 4.3 -38.28 3 5 1 71 232.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)pyridin-3-amine 5-(5-isobutyl-2-methyl-1,2,4-tri…

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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) 1.54 4.11 -10.04 2 5 0 70 231.303 3 ↓
Lo Low (pH 4.5-6) 1.54 4.51 -38.02 3 5 1 71 232.311 3 ↓

Parameters Provided:

ring.id = 21567
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 = 21567 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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