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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-1-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-piperidyl]methanamine N-methyl-1-[1-(7-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) 1.95 8.78 -49.72 2 5 1 50 260.365 3 ↓

Analogs

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Popular Name: N-[[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-piperidyl]methyl]ethanamine N-[[1-(7-methyl-[1,2,4]triazolo[…

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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) 1.98 9.65 -49.06 2 5 1 50 274.392 4 ↓

Analogs

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Popular Name: N-[[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-piperidyl]methyl]propan-1-amine N-[[1-(7-methyl-[1,2,4]triazolo[…

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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) 2.48 10.4 -50.1 2 5 1 50 288.419 5 ↓

Analogs

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Popular Name: N-[[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-piperidyl]methyl]propan-2-amine N-[[1-(7-methyl-[1,2,4]triazolo[…

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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) 2.62 10.15 -47.81 2 5 1 50 288.419 4 ↓

Analogs

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Popular Name: 4-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carboxylic 4-methyl-1-(7-methyl-[1,2,4]tria…

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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) 1.66 9.69 -48.42 0 6 -1 74 273.316 2 ↓

Analogs

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Popular Name: 4-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carboxylic 4-ethyl-1-(7-methyl-[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) 1.99 10.18 -47.73 0 6 -1 74 287.343 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-3-carboxylic (3R)-3-methyl-1-(7-methyl-[1,2,4…

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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) 1.66 10.09 -56.66 0 6 -1 74 273.316 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-3-carboxylic (3S)-3-methyl-1-(7-methyl-[1,2,4…

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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) 1.66 10.05 -57.01 0 6 -1 74 273.316 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-3-carboxylic (3S)-3-ethyl-1-(7-methyl-[1,2,4]…

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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) 1.99 10.59 -56.22 0 6 -1 74 287.343 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-3-carboxylic (3R)-3-ethyl-1-(7-methyl-[1,2,4]…

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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) 1.99 10.41 -46.9 0 6 -1 74 287.343 3 ↓

Analogs

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Popular Name: [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-piperidyl]methanol [1-(7-methyl-[1,2,4]triazolo[1,5…

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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) 1.53 6.2 -11.64 1 5 0 54 246.314 2 ↓

Analogs

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Popular Name: N-methyl-2-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-piperidyl]ethanamine N-methyl-2-[1-(7-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) 2.40 9.38 -48.79 2 5 1 50 274.392 4 ↓

Analogs

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Popular Name: N-methyl-2-[(2R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-(7-methyl-[1,…

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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) 2.34 9.24 -39.45 2 5 1 50 274.392 4 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-(7-methyl-[1,…

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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) 2.34 8.79 -50.16 2 5 1 50 274.392 4 ↓

Parameters Provided:

ring.id = 109334
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 = 109334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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