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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (Z)-2-methyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]pent-2-en-1-one (Z)-2-methyl-1-[4-([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) 2.54 9.97 -19.34 0 5 0 51 298.39 3 ↓

Analogs

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Popular Name: 3-(4-methyl-4-piperidyl)-[1,2,4]triazolo[4,3-a]pyridine 3-(4-methyl-4-piperidyl)-[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) 1.30 6.15 -53.45 2 4 1 47 217.296 1 ↓

Analogs

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Popular Name: 3-(4-methyl-4-piperidyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-(4-methyl-4-piperidyl)-6-(trif…

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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) 2.15 7.12 -50.58 2 4 1 47 285.293 2 ↓

Analogs

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Popular Name: 8-chloro-3-(4-methyl-4-piperidyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 8-chloro-3-(4-methyl-4-piperidyl…

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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) 2.76 7.59 -52.56 2 4 1 47 319.738 2 ↓

Analogs

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Popular Name: 3-(4-propyl-4-piperidyl)-[1,2,4]triazolo[4,3-a]pyridine 3-(4-propyl-4-piperidyl)-[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) 2.19 7.09 -55.06 2 4 1 47 245.35 3 ↓

Analogs

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Popular Name: 3-(4-ethyl-4-piperidyl)-[1,2,4]triazolo[4,3-a]pyridine 3-(4-ethyl-4-piperidyl)-[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) 1.63 6.33 -54.74 2 4 1 47 231.323 2 ↓

Analogs

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Popular Name: 3-(4-ethyl-4-piperidyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-(4-ethyl-4-piperidyl)-6-(trifl…

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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) 2.47 7.31 -51.9 2 4 1 47 299.32 3 ↓

Analogs

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Popular Name: 3-(1-isopropyl-4-piperidyl)-[1,2,4]triazolo[4,3-a]pyridine 3-(1-isopropyl-4-piperidyl)-[1,2…

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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 9.57 -44.49 1 4 1 35 245.35 2 ↓

Analogs

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Popular Name: 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide 2-[4-([1,2,4]triazolo[4,3-a]pyri…

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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) 0.00 5.29 -54.71 3 6 1 78 260.321 3 ↓
Hi High (pH 8-9.5) 0.00 3.09 -21.89 2 6 0 77 259.313 3 ↓

Analogs

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Popular Name: methyl methyl

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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 6.99 -19.39 0 6 0 60 274.324 4 ↓
Mid Mid (pH 6-8) 1.14 9.16 -53.97 1 6 1 61 275.332 4 ↓

Analogs

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Popular Name: N-butyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-butyl-2-[4-([1,2,4]triazolo[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) 2.32 9.14 -54.83 2 6 1 64 316.429 6 ↓
Hi High (pH 8-9.5) 2.32 6.96 -21.39 1 6 0 63 315.421 6 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-(3-methoxypropyl)-2-[4-([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) 1.14 7.43 -56.13 2 7 1 73 332.428 7 ↓
Hi High (pH 8-9.5) 1.14 5.25 -21.95 1 7 0 72 331.42 7 ↓

Analogs

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Popular Name: N-(ethylcarbamoyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-(ethylcarbamoyl)-2-[4-([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) 0.91 7.72 -68.56 3 8 1 93 331.4 4 ↓
Mid Mid (pH 6-8) 0.91 5.55 -32.81 2 8 0 92 330.392 4 ↓

Analogs

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Popular Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-[(1S)-1-cyano-1,2-dimethyl-pro…

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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) 2.22 9.52 -62.65 2 7 1 88 355.466 5 ↓
Mid Mid (pH 6-8) 2.22 7.33 -26.28 1 7 0 86 354.458 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-[(1R)-1-cyano-1,2-dimethyl-pro…

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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) 2.22 9.5 -65.6 2 7 1 88 355.466 5 ↓
Mid Mid (pH 6-8) 2.22 7.31 -29.03 1 7 0 86 354.458 5 ↓

Analogs

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Popular Name: (2R)-N-(ethylcarbamoyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]propanamide (2R)-N-(ethylcarbamoyl)-2-[4-([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) 0.74 8.17 -65.71 3 8 1 93 345.427 4 ↓
Mid Mid (pH 6-8) 0.74 5.87 -31.64 2 8 0 92 344.419 4 ↓

Analogs

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Popular Name: (2S)-N-(ethylcarbamoyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]propanamide (2S)-N-(ethylcarbamoyl)-2-[4-([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) 0.74 8.16 -65.58 3 8 1 93 345.427 4 ↓
Mid Mid (pH 6-8) 0.74 5.96 -32.32 2 8 0 92 344.419 4 ↓

Analogs

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Popular Name: (2S)-N-(methylcarbamoyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]propanamide (2S)-N-(methylcarbamoyl)-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) 0.36 7.32 -66.24 3 8 1 93 331.4 3 ↓
Mid Mid (pH 6-8) 0.36 5.12 -32.9 2 8 0 92 330.392 3 ↓

Analogs

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Popular Name: (2R)-N-(methylcarbamoyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]propanamide (2R)-N-(methylcarbamoyl)-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) 0.36 7.33 -66.29 3 8 1 93 331.4 3 ↓
Mid Mid (pH 6-8) 0.36 5.03 -32.28 2 8 0 92 330.392 3 ↓

Analogs

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Popular Name: N-[(1R)-1,2-dimethylpropyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-[(1R)-1,2-dimethylpropyl]-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) 2.33 9.61 -54.55 2 6 1 64 330.456 5 ↓
Hi High (pH 8-9.5) 2.33 7.42 -21.02 1 6 0 63 329.448 5 ↓

Analogs

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Popular Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-[(1S)-1,2-dimethylpropyl]-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) 2.33 9.92 -54.71 2 6 1 64 330.456 5 ↓
Hi High (pH 8-9.5) 2.33 7.73 -21.23 1 6 0 63 329.448 5 ↓

Analogs

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Popular Name: 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]butanenitrile 4-[4-([1,2,4]triazolo[4,3-a]pyri…

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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) 1.00 10.31 -62.75 1 5 1 58 270.36 4 ↓
Hi High (pH 8-9.5) 1.00 8.08 -20.14 0 5 0 57 269.352 4 ↓

Analogs

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Popular Name: (2S)-N-carbamoyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]propanamide (2S)-N-carbamoyl-2-[4-([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) -0.02 5.91 -66.34 4 8 1 107 317.373 3 ↓
Mid Mid (pH 6-8) -0.02 3.71 -32.8 3 8 0 106 316.365 3 ↓

Analogs

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Popular Name: (2R)-N-carbamoyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]propanamide (2R)-N-carbamoyl-2-[4-([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) -0.02 5.92 -66.38 4 8 1 107 317.373 3 ↓
Mid Mid (pH 6-8) -0.02 3.62 -32.14 3 8 0 106 316.365 3 ↓

Analogs

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Popular Name: 3-[1-(3-methylbut-2-enyl)-4-piperidyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[1-(3-methylbut-2-enyl)-4-pipe…

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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) 2.95 11.04 -46.97 1 4 1 35 271.388 3 ↓

Analogs

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Popular Name: N,N-dibutyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N,N-dibutyl-2-[4-([1,2,4]triazol…

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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) 3.50 13.68 -54.86 1 6 1 55 372.537 9 ↓
Hi High (pH 8-9.5) 3.50 11.48 -21.07 0 6 0 54 371.529 9 ↓

Analogs

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Popular Name: N-hexyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-hexyl-2-[4-([1,2,4]triazolo[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) 3.33 10.7 -54.98 2 6 1 64 344.483 8 ↓
Hi High (pH 8-9.5) 3.33 8.52 -21.43 1 6 0 63 343.475 8 ↓

Analogs

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Popular Name: N-[(1R)-1,5-dimethylhexyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-[(1R)-1,5-dimethylhexyl]-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) 3.64 12.22 -54.97 2 6 1 64 372.537 8 ↓
Hi High (pH 8-9.5) 3.64 10.03 -21.1 1 6 0 63 371.529 8 ↓

Analogs

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Popular Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]acetamide N-[(1S)-1,5-dimethylhexyl]-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) 3.64 12.23 -55.38 2 6 1 64 372.537 8 ↓
Hi High (pH 8-9.5) 3.64 10.04 -21.11 1 6 0 63 371.529 8 ↓

Parameters Provided:

ring.id = 114810
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 = 114810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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