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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 4-methyl-1-[2-(2-pyridyl)ethyl]piperidine-4-carboxylic 4-methyl-1-[2-(2-pyridyl)ethyl]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) 1.24 8.16 -57.88 1 4 0 57 248.326 4 ↓

Analogs

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Popular Name: 4-ethyl-1-[2-(2-pyridyl)ethyl]piperidine-4-carboxylic 4-ethyl-1-[2-(2-pyridyl)ethyl]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) 1.57 8.63 -57 1 4 0 57 262.353 5 ↓

Analogs

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Popular Name: 4-propyl-1-[2-(2-pyridyl)ethyl]piperidine-4-carboxylic 4-propyl-1-[2-(2-pyridyl)ethyl]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) 2.13 9.38 -57.31 1 4 0 57 276.38 6 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxylic (3S)-3-methyl-1-[2-(2-pyridyl)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) 1.24 8.34 -51.67 1 4 0 57 248.326 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-(2-pyridyl)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) 1.24 8.32 -52.26 1 4 0 57 248.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[2-(2-pyridyl)eth…

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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) 1.57 8.89 -36.86 1 4 0 57 262.353 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[2-(2-pyridyl)eth…

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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) 1.57 8.79 -51.04 1 4 0 57 262.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxylic (3S)-3-propyl-1-[2-(2-pyridyl)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) 2.13 9.65 -36.72 1 4 0 57 276.38 6 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxylic (3R)-3-propyl-1-[2-(2-pyridyl)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) 2.13 9.55 -51.28 1 4 0 57 276.38 6 ↓

Analogs

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Popular Name: 3-[methyl-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]amino]propanoic 3-[methyl-[1-[2-(2-pyridyl)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) 0.91 7.44 -46.85 1 5 0 61 291.395 7 ↓
Mid Mid (pH 6-8) 0.91 9.67 -98.7 2 5 1 62 292.403 7 ↓
Mid Mid (pH 6-8) 0.91 7.19 -65.38 1 5 0 61 291.395 7 ↓

Analogs

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Popular Name: (2R)-N,2-dimethyl-N-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]pentanamide (2R)-N,2-dimethyl-N-[1-[2-(2-pyr…

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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 10.04 -44.37 1 4 1 38 318.485 7 ↓

Analogs

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Popular Name: (2S)-N,2-dimethyl-N-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]pentanamide (2S)-N,2-dimethyl-N-[1-[2-(2-pyr…

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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 10.16 -49.77 1 4 1 38 318.485 7 ↓

Analogs

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Popular Name: (3R,4R)-4-methyl-1-[2-(2-pyridyl)ethyl]piperidin-3-amine (3R,4R)-4-methyl-1-[2-(2-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) 0.72 5.59 -117.01 4 3 2 45 221.348 3 ↓
Hi High (pH 8-9.5) 0.72 3.6 -40.67 3 3 1 44 220.34 3 ↓
Mid Mid (pH 6-8) 0.72 5.24 -31.01 3 3 1 43 220.34 3 ↓

Analogs

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Popular Name: (3R,4S)-4-methyl-1-[2-(2-pyridyl)ethyl]piperidin-3-amine (3R,4S)-4-methyl-1-[2-(2-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) 0.72 5.21 -111.61 4 3 2 45 221.348 3 ↓
Hi High (pH 8-9.5) 0.72 2.99 -41.86 3 3 1 44 220.34 3 ↓
Mid Mid (pH 6-8) 0.72 4.91 -34.04 3 3 1 43 220.34 3 ↓

Analogs

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Popular Name: N-ethyl-N-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]methanesulfonamide N-ethyl-N-[1-[2-(2-pyridyl)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) 1.15 5.72 -49.78 1 5 1 55 312.459 6 ↓
Hi High (pH 8-9.5) 1.15 3.52 -12.71 0 5 0 54 311.451 6 ↓

Analogs

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Popular Name: (Z)-N,2-dimethyl-N-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]pent-2-enamide (Z)-N,2-dimethyl-N-[1-[2-(2-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) 2.66 10.13 -44.43 1 4 1 38 316.469 6 ↓

Analogs

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Popular Name: 2-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]ethanamine 2-[1-[2-(2-pyridyl)ethyl]-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) 1.01 5.96 -94.27 4 3 2 45 235.375 5 ↓

Analogs

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Popular Name: N-methyl-2-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]ethanamine N-methyl-2-[1-[2-(2-pyridyl)ethy…

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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 7.83 -90.41 3 3 2 34 249.402 6 ↓

Analogs

43498801
43498801
43498804
43498804

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Popular Name: N-methyl-2-[(2S)-1-[2-(2-pyridyl)ethyl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[2-(2-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) 1.93 7.65 -99.49 3 3 2 34 249.402 6 ↓
Mid Mid (pH 6-8) 1.93 6.06 -40.52 2 3 1 33 248.394 6 ↓

Analogs

43498801
43498801
43498804
43498804

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Popular Name: N-methyl-2-[(2R)-1-[2-(2-pyridyl)ethyl]-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-[2-(2-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) 1.93 7.65 -98.04 3 3 2 34 249.402 6 ↓
Mid Mid (pH 6-8) 1.93 5.52 -38.03 2 3 1 33 248.394 6 ↓

Analogs

12383492
12383492
12383493
12383493

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Popular Name: (2R)-3-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-(2-pyridyl)propan-1-amine (2R)-3-[(3S,5R)-3,5-dimethyl-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) 1.20 6.36 -105.66 4 3 2 45 249.402 4 ↓
Mid Mid (pH 6-8) 1.20 5.98 -29.85 3 3 1 43 248.394 4 ↓

Parameters Provided:

ring.id = 32820
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 = 32820 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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