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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22143915
22143915

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(1-piperidyl)ethyl]piperidin-4-amine 1-[2-(1-piperidyl)ethyl]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) 0.55 3.5 -86.32 4 3 2 35 213.369 3 ↓
Hi High (pH 8-9.5) 0.55 1.29 -41.73 3 3 1 34 212.361 3 ↓

Analogs

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Popular Name: 4-methyl-1-[2-(1-piperidyl)ethyl]piperidine-4-carboxylic 4-methyl-1-[2-(1-piperidyl)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) 1.54 9.31 -125.42 2 4 1 49 255.382 4 ↓
Mid Mid (pH 6-8) 1.54 7.09 -57.03 1 4 0 48 254.374 4 ↓

Analogs

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Popular Name: 4-ethyl-1-[2-(1-piperidyl)ethyl]piperidine-4-carboxylic 4-ethyl-1-[2-(1-piperidyl)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) 1.88 9.8 -124.94 2 4 1 49 269.409 5 ↓
Mid Mid (pH 6-8) 1.88 7.56 -56.19 1 4 0 48 268.401 5 ↓

Analogs

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Popular Name: 1-[2-(1-piperidyl)ethyl]-4-propyl-piperidine-4-carboxylic 1-[2-(1-piperidyl)ethyl]-4-propy…

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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) 2.44 10.55 -125.72 2 4 1 49 283.436 6 ↓
Mid Mid (pH 6-8) 2.44 8.32 -56.58 1 4 0 48 282.428 6 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-(1-piperidyl)ethyl]piperidine-3-carboxylic (3S)-3-methyl-1-[2-(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) 1.54 9.49 -113.45 2 4 1 49 255.382 4 ↓
Mid Mid (pH 6-8) 1.54 7.28 -48.75 1 4 0 48 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-(1-piperidyl)ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-(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) 1.54 9.48 -112.72 2 4 1 49 255.382 4 ↓
Mid Mid (pH 6-8) 1.54 7.25 -48.39 1 4 0 48 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[2-(1-piperidyl)ethyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[2-(1-piperidyl)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) 1.88 10.04 -88.02 2 4 1 49 269.409 5 ↓
Mid Mid (pH 6-8) 1.88 7.82 -33.94 1 4 0 48 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[2-(1-piperidyl)ethyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[2-(1-piperidyl)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) 1.88 10.09 -88.68 2 4 1 49 269.409 5 ↓
Mid Mid (pH 6-8) 1.88 7.87 -35.45 1 4 0 48 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(1-piperidyl)ethyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[2-(1-piperidyl)ethyl]-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) 2.44 10.74 -113.29 2 4 1 49 283.436 6 ↓
Mid Mid (pH 6-8) 2.44 8.52 -48.13 1 4 0 48 282.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(1-piperidyl)ethyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[2-(1-piperidyl)ethyl]-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) 2.44 10.85 -88.45 2 4 1 49 283.436 6 ↓
Mid Mid (pH 6-8) 2.44 8.63 -35.37 1 4 0 48 282.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-methyl-1-[2-(1-piperidyl)ethyl]piperidin-3-amine (3R,4R)-4-methyl-1-[2-(1-piperid…

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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) 1.02 4.75 -90.83 4 3 2 35 227.396 3 ↓
Hi High (pH 8-9.5) 1.02 2.53 -37.31 3 3 1 34 226.388 3 ↓
Lo Low (pH 4.5-6) 1.02 6.38 -104.74 4 3 2 35 227.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-methyl-1-[2-(1-piperidyl)ethyl]piperidin-3-amine (3R,4S)-4-methyl-1-[2-(1-piperid…

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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) 1.02 4.13 -89.8 4 3 2 35 227.396 3 ↓
Hi High (pH 8-9.5) 1.02 1.92 -40.99 3 3 1 34 226.388 3 ↓
Lo Low (pH 4.5-6) 1.02 6.07 -109.02 4 3 2 35 227.396 3 ↓

Analogs

42427609
42427609

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[2-(1-piperidyl)ethyl]-4-piperidyl]ethanamine 2-[1-[2-(1-piperidyl)ethyl]-4-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) 1.31 7.12 -178.29 5 3 3 37 242.431 5 ↓
Mid Mid (pH 6-8) 1.31 4.88 -82.63 4 3 2 35 241.423 5 ↓
Mid Mid (pH 6-8) 1.31 4.9 -93.15 4 3 2 35 241.423 5 ↓

Analogs

42427609
42427609

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[1-[2-(1-piperidyl)ethyl]-4-piperidyl]ethanamine N-methyl-2-[1-[2-(1-piperidyl)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) 2.29 9 -174.85 4 3 3 25 256.458 6 ↓
Mid Mid (pH 6-8) 2.29 6.76 -78.41 3 3 2 24 255.45 6 ↓
Mid Mid (pH 6-8) 2.29 6.77 -89.26 3 3 2 24 255.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2S)-1-[2-(1-piperidyl)ethyl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[2-(1-piperid…

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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) 2.23 7.21 -97.7 3 3 2 24 255.45 6 ↓
Mid Mid (pH 6-8) 2.23 4.99 -36.84 2 3 1 23 254.442 6 ↓
Mid Mid (pH 6-8) 2.23 6.59 -99.86 3 3 2 24 255.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2R)-1-[2-(1-piperidyl)ethyl]-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-[2-(1-piperid…

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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) 2.23 6.67 -92.41 3 3 2 24 255.45 6 ↓
Mid Mid (pH 6-8) 2.23 4.45 -39.4 2 3 1 23 254.442 6 ↓
Mid Mid (pH 6-8) 2.23 6.6 -101.23 3 3 2 24 255.45 6 ↓

Parameters Provided:

ring.id = 110152
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 = 110152 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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