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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: 2-[(3R)-1-(6-nitro-3-pyridyl)-3-piperidyl]ethanol 2-[(3R)-1-(6-nitro-3-pyridyl)-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) 1.68 4.64 -12.84 1 6 0 82 251.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-(6-nitro-3-pyridyl)-3-piperidyl]ethanol 2-[(3S)-1-(6-nitro-3-pyridyl)-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) 1.68 4.67 -12.5 1 6 0 82 251.286 4 ↓

Analogs

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Popular Name: 1-(6-amino-3-pyridyl)-N-methyl-piperidine-4-carboxamide 1-(6-amino-3-pyridyl)-N-methyl-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) 0.67 2.47 -34.97 4 5 1 72 235.311 2 ↓
Mid Mid (pH 6-8) 0.67 2 -12.42 3 5 0 71 234.303 2 ↓

Analogs

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Popular Name: 2-chloro-5-(1-piperidyl)pyridine 2-chloro-5-(1-piperidyl)pyridine

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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) 2.90 5.51 -4.64 0 2 0 16 196.681 1 ↓

Analogs

4004123
4004123

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Popular Name: 1-(6-nitro-3-pyridyl)piperidin-4-amine 1-(6-nitro-3-pyridyl)piperidin-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) 0.54 4.02 -61.99 3 6 1 90 223.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(6-nitro-3-pyridyl)piperidine-4-carboxylic 4-methyl-1-(6-nitro-3-pyridyl)pi…

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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 7.58 -50.13 0 7 -1 102 264.261 3 ↓
Lo Low (pH 4.5-6) 1.53 7.99 -63.52 1 7 0 103 265.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(6-nitro-3-pyridyl)piperidine-4-carboxylic 4-ethyl-1-(6-nitro-3-pyridyl)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) 1.87 8.07 -49.59 0 7 -1 102 278.288 4 ↓
Lo Low (pH 4.5-6) 1.87 8.48 -63.13 1 7 0 103 279.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-nitro-3-pyridyl)-4-propyl-piperidine-4-carboxylic 1-(6-nitro-3-pyridyl)-4-propyl-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) 2.43 8.8 -49.47 0 7 -1 102 292.315 5 ↓
Lo Low (pH 4.5-6) 2.43 9.21 -62.66 1 7 0 103 293.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(6-nitro-3-pyridyl)piperidine-3-carboxylic (3S)-3-methyl-1-(6-nitro-3-pyrid…

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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 7.97 -45.43 0 7 -1 102 264.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(6-nitro-3-pyridyl)piperidine-3-carboxylic (3R)-3-methyl-1-(6-nitro-3-pyrid…

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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 7.94 -45.07 0 7 -1 102 264.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(6-nitro-3-pyridyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(6-nitro-3-pyridy…

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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) 1.87 8.47 -44.36 0 7 -1 102 278.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(6-nitro-3-pyridyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(6-nitro-3-pyridy…

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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) 1.87 8.42 -48.33 0 7 -1 102 278.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-nitro-3-pyridyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(6-nitro-3-pyridyl)-3-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) 2.43 9.21 -44.62 0 7 -1 102 292.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-nitro-3-pyridyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(6-nitro-3-pyridyl)-3-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) 2.43 9.19 -48.6 0 7 -1 102 292.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-methyl-3-pyridyl)piperidin-3-amine (3S)-1-(6-methyl-3-pyridyl)piper…

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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) 0.29 2.92 -47.68 3 3 1 44 192.286 1 ↓
Mid Mid (pH 6-8) 0.29 3.34 -92.16 4 3 2 45 193.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-methyl-3-pyridyl)piperidin-3-amine (3R)-1-(6-methyl-3-pyridyl)piper…

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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) 0.29 2.94 -50.36 3 3 1 44 192.286 1 ↓
Mid Mid (pH 6-8) 0.29 3.36 -88.8 4 3 2 45 193.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methyl-3-pyridyl)piperidin-4-amine 1-(6-methyl-3-pyridyl)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) 0.29 2.94 -48.71 3 3 1 44 192.286 1 ↓
Mid Mid (pH 6-8) 0.29 3.36 -85.26 4 3 2 45 193.294 1 ↓

Analogs

42446534
42446534

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Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)pyridin-2-amine 5-(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) 2.69 5.66 -26.94 3 3 1 43 220.34 2 ↓
Mid Mid (pH 6-8) 2.69 5.19 -4.35 2 3 0 42 219.332 2 ↓

Analogs

42446534
42446534

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Popular Name: 5-(4,4-diethyl-1-piperidyl)pyridin-2-amine 5-(4,4-diethyl-1-piperidyl)pyrid…

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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) 3.02 6.15 -27.06 3 3 1 43 234.367 3 ↓
Mid Mid (pH 6-8) 3.02 5.68 -4.2 2 3 0 42 233.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,3-dimethyl-1-piperidyl)pyridin-2-amine 5-(3,3-dimethyl-1-piperidyl)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) 2.36 5.56 -26.92 3 3 1 43 206.313 1 ↓
Mid Mid (pH 6-8) 2.36 5.08 -4.2 2 3 0 42 205.305 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(6-nitro-3-pyridyl)-4-piperidyl]ethanamine 2-[1-(6-nitro-3-pyridyl)-4-piper…

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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 5.4 -58.42 3 6 1 90 251.31 4 ↓
Lo Low (pH 4.5-6) 1.30 5.81 -92.62 4 6 2 91 252.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[1-(6-nitro-3-pyridyl)-4-piperidyl]ethanamine N-methyl-2-[1-(6-nitro-3-pyridyl…

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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) 2.28 7.27 -53.16 2 6 1 79 265.337 5 ↓
Lo Low (pH 4.5-6) 2.28 7.67 -89.39 3 6 2 80 266.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2S)-1-(6-nitro-3-pyridyl)-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-(6-nitro-3-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) 2.22 7.29 -46.83 2 6 1 79 265.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2R)-1-(6-nitro-3-pyridyl)-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-(6-nitro-3-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) 2.22 7.3 -46.83 2 6 1 79 265.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-1-(3-pyridyl)piperidin-4-amine N-propyl-1-(3-pyridyl)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) 2.02 5.64 -43.27 2 3 1 33 220.34 4 ↓
Mid Mid (pH 6-8) 2.02 6.09 -83.55 3 3 2 34 221.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-1-(3-pyridyl)piperidin-4-amine N-ethyl-1-(3-pyridyl)piperidin-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) 1.52 4.88 -42.38 2 3 1 33 206.313 3 ↓
Mid Mid (pH 6-8) 1.52 5.33 -82.14 3 3 2 34 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(3-pyridyl)piperidin-4-amine N-methyl-1-(3-pyridyl)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) 1.14 4.03 -43.46 2 3 1 33 192.286 2 ↓
Mid Mid (pH 6-8) 1.14 4.48 -82.38 3 3 2 34 193.294 2 ↓

Analogs

42432138
42432138

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Popular Name: [(2R)-1-(6-amino-3-pyridyl)-2-piperidyl]methanol [(2R)-1-(6-amino-3-pyridyl)-2-pi…

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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) 1.06 1.92 -28.78 4 4 1 64 208.285 2 ↓
Mid Mid (pH 6-8) 1.06 1.45 -4.38 3 4 0 62 207.277 2 ↓

Analogs

42432137
42432137

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Popular Name: [(2S)-1-(6-amino-3-pyridyl)-2-piperidyl]methanol [(2S)-1-(6-amino-3-pyridyl)-2-pi…

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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) 1.06 1.92 -28.76 4 4 1 64 208.285 2 ↓
Mid Mid (pH 6-8) 1.06 1.44 -4.4 3 4 0 62 207.277 2 ↓

Analogs

61819242
61819242
62953222
62953222
62953368
62953368
19868001
19868001

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-1-piperidyl)pyridin-2-amine 5-(4-ethyl-1-piperidyl)pyridin-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) 2.63 5.55 -26.92 3 3 1 43 206.313 2 ↓
Mid Mid (pH 6-8) 2.63 5.09 -4.49 2 3 0 42 205.305 2 ↓

Parameters Provided:

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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 = 38714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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