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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-N-prop-2-ynyl-1-pyrazin-2-yl-piperidine-3-carboxamide (3R)-N-prop-2-ynyl-1-pyrazin-2-y…

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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) 0.50 2.78 -10.54 1 5 0 58 244.298 3 ↓

Analogs

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Popular Name: (3S)-N-prop-2-ynyl-1-pyrazin-2-yl-piperidine-3-carboxamide (3S)-N-prop-2-ynyl-1-pyrazin-2-y…

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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) 0.50 2.78 -10.55 1 5 0 58 244.298 3 ↓

Analogs

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Popular Name: 2-chloro-6-(4-propyl-1-piperidyl)pyrazine 2-chloro-6-(4-propyl-1-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) 3.65 6.92 -4.39 0 3 0 29 239.75 3 ↓

Analogs

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Popular Name: 2-chloro-3-(4-propyl-1-piperidyl)pyrazine 2-chloro-3-(4-propyl-1-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) 3.65 6.95 -5.12 0 3 0 29 239.75 3 ↓

Analogs

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Popular Name: 6-[(3S,4R)-4-amino-3-methoxy-1-piperidyl]pyrazine-2-carboxamide 6-[(3S,4R)-4-amino-3-methoxy-1-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) -1.52 -2.25 -55.79 5 7 1 109 252.298 3 ↓
Hi High (pH 8-9.5) -1.52 -2.56 -8.77 4 7 0 107 251.29 3 ↓

Analogs

34538196
34538196
39295431
39295431
41684180
41684180

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Popular Name: 2-Chloro-6-piperidin-1-yl-pyrazine 2-Chloro-6-piperidin-1-yl-pyrazine

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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) 2.17 3.74 -3.82 0 3 0 29 197.669 1 ↓

Analogs

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Popular Name: N-methyl-1-(1-pyrazin-2-yl-4-piperidyl)methanamine N-methyl-1-(1-pyrazin-2-yl-4-pip…

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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) 1.01 4.39 -45.69 2 4 1 46 207.301 3 ↓

Analogs

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Popular Name: 1-[1-(3,6-dimethylpyrazin-2-yl)-4-piperidyl]-N-methyl-methanamine 1-[1-(3,6-dimethylpyrazin-2-yl)-…

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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) 1.46 5.82 -43.73 2 4 1 46 235.355 3 ↓

Analogs

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Popular Name: N-[(1-pyrazin-2-yl-4-piperidyl)methyl]ethanamine N-[(1-pyrazin-2-yl-4-piperidyl)m…

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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) 1.04 5.26 -44.73 2 4 1 46 221.328 4 ↓

Analogs

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Popular Name: N-[[1-(3,6-dimethylpyrazin-2-yl)-4-piperidyl]methyl]ethanamine N-[[1-(3,6-dimethylpyrazin-2-yl)…

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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) 1.48 6.69 -42.77 2 4 1 46 249.382 4 ↓

Analogs

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Popular Name: N-[(1-pyrazin-2-yl-4-piperidyl)methyl]propan-1-amine N-[(1-pyrazin-2-yl-4-piperidyl)m…

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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 6.01 -45.83 2 4 1 46 235.355 5 ↓

Analogs

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Popular Name: N-[[1-(3,6-dimethylpyrazin-2-yl)-4-piperidyl]methyl]propan-1-amine N-[[1-(3,6-dimethylpyrazin-2-yl)…

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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 7.43 -43.72 2 4 1 46 263.409 5 ↓

Analogs

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Popular Name: N-[(1-pyrazin-2-yl-4-piperidyl)methyl]propan-2-amine N-[(1-pyrazin-2-yl-4-piperidyl)m…

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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) 1.69 5.77 -43.68 2 4 1 46 235.355 4 ↓

Analogs

42455688
42455688
42455689
42455689
43417216
43417216
759505
759505
14989036
14989036

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Popular Name: 1-(3,6-dimethylpyrazin-2-yl)piperidin-4-amine 1-(3,6-dimethylpyrazin-2-yl)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) 0.17 3.17 -46.92 3 4 1 57 207.301 1 ↓

Analogs

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Popular Name: 1-(3-carbamoylpyrazin-2-yl)-4-methyl-piperidine-4-carboxylic 1-(3-carbamoylpyrazin-2-yl)-4-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) -0.22 2.63 -54.54 2 7 -1 112 263.277 3 ↓

Analogs

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Popular Name: 1-(3-cyanopyrazin-2-yl)-4-methyl-piperidine-4-carboxylic 1-(3-cyanopyrazin-2-yl)-4-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) 0.71 5.61 -51.62 0 6 -1 93 245.262 2 ↓

Analogs

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Popular Name: 4-methyl-1-pyrazin-2-yl-piperidine-4-carboxylic 4-methyl-1-pyrazin-2-yl-piperidi…

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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) 0.72 5.31 -48.98 0 5 -1 69 220.252 2 ↓

Analogs

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Popular Name: 1-(3-carbamoylpyrazin-2-yl)-4-ethyl-piperidine-4-carboxylic 1-(3-carbamoylpyrazin-2-yl)-4-et…

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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) 0.11 3.11 -53.99 2 7 -1 112 277.304 4 ↓
Lo Low (pH 4.5-6) 0.11 1.26 -10.72 3 7 0 109 278.312 4 ↓

Analogs

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Popular Name: 1-(3-cyanopyrazin-2-yl)-4-ethyl-piperidine-4-carboxylic 1-(3-cyanopyrazin-2-yl)-4-ethyl-…

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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) 1.05 6.1 -50.96 0 6 -1 93 259.289 3 ↓
Lo Low (pH 4.5-6) 1.05 4.25 -10.62 1 6 0 90 260.297 3 ↓

Analogs

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Popular Name: 4-ethyl-1-pyrazin-2-yl-piperidine-4-carboxylic 4-ethyl-1-pyrazin-2-yl-piperidin…

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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) 1.05 5.8 -48.51 0 5 -1 69 234.279 3 ↓
Lo Low (pH 4.5-6) 1.05 3.94 -9.65 1 5 0 66 235.287 3 ↓

Analogs

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Popular Name: 1-(3-carbamoylpyrazin-2-yl)-4-propyl-piperidine-4-carboxylic 1-(3-carbamoylpyrazin-2-yl)-4-pr…

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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) 0.67 3.85 -54.14 2 7 -1 112 291.331 5 ↓
Lo Low (pH 4.5-6) 0.67 2.02 -10.6 3 7 0 109 292.339 5 ↓

Analogs

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Popular Name: 1-(3-cyanopyrazin-2-yl)-4-propyl-piperidine-4-carboxylic 1-(3-cyanopyrazin-2-yl)-4-propyl…

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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) 1.61 6.83 -50.94 0 6 -1 93 273.316 4 ↓
Lo Low (pH 4.5-6) 1.61 5 -10.58 1 6 0 90 274.324 4 ↓

Analogs

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Popular Name: 4-propyl-1-pyrazin-2-yl-piperidine-4-carboxylic 4-propyl-1-pyrazin-2-yl-piperidi…

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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) 1.61 6.53 -48.53 0 5 -1 69 248.306 4 ↓
Lo Low (pH 4.5-6) 1.61 4.7 -9.53 1 5 0 66 249.314 4 ↓

Analogs

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Popular Name: (3S)-1-(3-carbamoylpyrazin-2-yl)-3-methyl-piperidine-3-carboxylic (3S)-1-(3-carbamoylpyrazin-2-yl)…

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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 3.02 -56.54 2 7 -1 112 263.277 3 ↓

Analogs

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Popular Name: (3R)-1-(3-carbamoylpyrazin-2-yl)-3-methyl-piperidine-3-carboxylic (3R)-1-(3-carbamoylpyrazin-2-yl)…

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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 2.99 -56.25 2 7 -1 112 263.277 3 ↓

Analogs

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Popular Name: (3S)-1-(3-cyanopyrazin-2-yl)-3-methyl-piperidine-3-carboxylic (3S)-1-(3-cyanopyrazin-2-yl)-3-m…

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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) 0.71 6.01 -52.8 0 6 -1 93 245.262 2 ↓

Analogs

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Popular Name: (3R)-1-(3-cyanopyrazin-2-yl)-3-methyl-piperidine-3-carboxylic (3R)-1-(3-cyanopyrazin-2-yl)-3-m…

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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) 0.71 5.97 -52.84 0 6 -1 93 245.262 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-pyrazin-2-yl-piperidine-3-carboxylic (3S)-3-methyl-1-pyrazin-2-yl-pip…

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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) 0.72 5.69 -49.19 0 5 -1 69 220.252 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-pyrazin-2-yl-piperidine-3-carboxylic (3R)-3-methyl-1-pyrazin-2-yl-pip…

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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) 0.72 5.69 -49.34 0 5 -1 69 220.252 2 ↓

Analogs

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Popular Name: (3S)-1-(3-carbamoylpyrazin-2-yl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(3-carbamoylpyrazin-2-yl)…

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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) 0.11 3.51 -55.96 2 7 -1 112 277.304 4 ↓

Analogs

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Popular Name: (3R)-1-(3-carbamoylpyrazin-2-yl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(3-carbamoylpyrazin-2-yl)…

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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) 0.11 3.93 -52.54 2 7 -1 112 277.304 4 ↓

Analogs

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Popular Name: (3S)-1-(3-cyanopyrazin-2-yl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(3-cyanopyrazin-2-yl)-3-e…

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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) 1.05 6.5 -52.11 0 6 -1 93 259.289 3 ↓

Analogs

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Popular Name: (3R)-1-(3-cyanopyrazin-2-yl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(3-cyanopyrazin-2-yl)-3-e…

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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) 1.05 6.8 -47.3 0 6 -1 93 259.289 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-pyrazin-2-yl-piperidine-3-carboxylic (3S)-3-ethyl-1-pyrazin-2-yl-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) 1.05 6.3 -47.42 0 5 -1 69 234.279 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-pyrazin-2-yl-piperidine-3-carboxylic (3R)-3-ethyl-1-pyrazin-2-yl-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) 1.05 6.35 -49.02 0 5 -1 69 234.279 3 ↓

Analogs

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Popular Name: (3S)-1-(3-carbamoylpyrazin-2-yl)-3-propyl-piperidine-3-carboxylic (3S)-1-(3-carbamoylpyrazin-2-yl)…

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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) 0.67 4.26 -56.61 2 7 -1 112 291.331 5 ↓

Analogs

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Popular Name: (3R)-1-(3-carbamoylpyrazin-2-yl)-3-propyl-piperidine-3-carboxylic (3R)-1-(3-carbamoylpyrazin-2-yl)…

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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) 0.67 4.69 -53.05 2 7 -1 112 291.331 5 ↓

Analogs

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Popular Name: (3S)-1-(3-cyanopyrazin-2-yl)-3-propyl-piperidine-3-carboxylic (3S)-1-(3-cyanopyrazin-2-yl)-3-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) 1.61 7.25 -52.75 0 6 -1 93 273.316 4 ↓

Analogs

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Popular Name: (3R)-1-(3-cyanopyrazin-2-yl)-3-propyl-piperidine-3-carboxylic (3R)-1-(3-cyanopyrazin-2-yl)-3-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) 1.61 7.56 -47.6 0 6 -1 93 273.316 4 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-pyrazin-2-yl-piperidine-3-carboxylic (3S)-3-propyl-1-pyrazin-2-yl-pip…

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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) 1.61 7.06 -47.66 0 5 -1 69 248.306 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-pyrazin-2-yl-piperidine-3-carboxylic (3R)-3-propyl-1-pyrazin-2-yl-pip…

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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) 1.61 7.11 -49.39 0 5 -1 69 248.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-ethyl-4-methyl-1-piperidyl)pyrazin-2-yl]methanamine [3-(4-ethyl-4-methyl-1-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) 1.78 3.93 -46.17 3 4 1 57 235.355 3 ↓
Mid Mid (pH 6-8) 1.78 3.6 -4.82 2 4 0 55 234.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4,4-diethyl-1-piperidyl)pyrazin-2-yl]methanamine [3-(4,4-diethyl-1-piperidyl)pyra…

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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) 2.11 4.45 -45.76 3 4 1 57 249.382 4 ↓
Mid Mid (pH 6-8) 2.11 4.07 -4.5 2 4 0 55 248.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-ethyl-4-methyl-1-piperidyl)pyrazine-2-carboxamidine 3-(4-ethyl-4-methyl-1-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) 0.98 4.25 -31.55 4 5 1 81 248.354 3 ↓
Mid Mid (pH 6-8) 0.98 4.65 -5.22 3 5 0 79 247.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4,4-diethyl-1-piperidyl)pyrazine-2-carboxamidine 3-(4,4-diethyl-1-piperidyl)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) 1.31 4.48 -32.07 4 5 1 81 262.381 4 ↓
Mid Mid (pH 6-8) 1.31 5.14 -5.01 3 5 0 79 261.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4,4-diethyl-1-piperidyl)pyrazine-2-carbonitrile 3-(4,4-diethyl-1-piperidyl)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) 2.68 6.66 -6.96 0 4 0 53 244.342 3 ↓

Analogs

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Popular Name: 3-(4-ethyl-4-methyl-1-piperidyl)pyrazine-2-carbothioamide 3-(4-ethyl-4-methyl-1-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) 2.39 5.06 -7.96 2 4 0 55 264.398 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4,4-diethyl-1-piperidyl)pyrazine-2-carbothioamide 3-(4,4-diethyl-1-piperidyl)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) 2.73 5.56 -7.72 2 4 0 55 278.425 4 ↓

Analogs

43537489
43537489
43537951
43537951

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-3-(4-ethyl-4-methyl-1-piperidyl)pyrazine 2-chloro-3-(4-ethyl-4-methyl-1-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) 3.15 6.3 -4.99 0 3 0 29 239.75 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-(4,4-diethyl-1-piperidyl)pyrazine 2-chloro-6-(4,4-diethyl-1-piperi…

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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) 3.49 6.78 -4.11 0 3 0 29 253.777 3 ↓

Parameters Provided:

ring.id = 11907
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 = 11907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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