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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

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-2,5-dimethyl-1-[2-(1-piperidyl)ethyl]piperazine (2R,5R)-2,5-dimethyl-1-[2-(1-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) 1.59 4.96 -85.29 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.59 3.7 -32.39 2 3 1 20 226.388 3 ↓
Hi High (pH 8-9.5) 1.59 2.74 -34.68 2 3 1 23 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-2,5-dimethyl-1-[2-(1-piperidyl)ethyl]piperazine (2S,5R)-2,5-dimethyl-1-[2-(1-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) 1.59 5.05 -85.85 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.59 3.77 -32.45 2 3 1 20 226.388 3 ↓
Hi High (pH 8-9.5) 1.59 2.83 -35.11 2 3 1 23 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-2,5-dimethyl-1-[2-(1-piperidyl)ethyl]piperazine (2R,5S)-2,5-dimethyl-1-[2-(1-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) 1.59 5.05 -85.9 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.59 3.8 -32.46 2 3 1 20 226.388 3 ↓
Hi High (pH 8-9.5) 1.59 2.83 -35.13 2 3 1 23 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2,5-dimethyl-1-[2-(1-piperidyl)ethyl]piperazine (2S,5S)-2,5-dimethyl-1-[2-(1-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) 1.59 5.32 -86.58 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.59 3.11 -35.99 2 3 1 23 226.388 3 ↓
Hi High (pH 8-9.5) 1.59 4.06 -32.66 2 3 1 20 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-1-[2-(1-piperidyl)ethyl]piperazine 2,2-dimethyl-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) 1.39 4.77 -86.86 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.39 2.56 -37.1 2 3 1 23 226.388 3 ↓
Hi High (pH 8-9.5) 1.39 3.42 -32.42 2 3 1 20 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-1-[2-(1-piperidyl)ethyl]piperazine (2S,6R)-2,6-dimethyl-1-[2-(1-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) 1.24 4.63 -91.19 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.24 2.39 -37.61 2 3 1 23 226.388 3 ↓
Hi High (pH 8-9.5) 1.24 3.28 -32.6 2 3 1 20 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2,6-dimethyl-1-[2-(1-piperidyl)ethyl]piperazine (2S,6S)-2,6-dimethyl-1-[2-(1-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) 1.24 4.83 -86.28 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.24 3.66 -32.41 2 3 1 20 226.388 3 ↓
Hi High (pH 8-9.5) 1.24 2.6 -37.22 2 3 1 23 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-1-[2-(1-piperidyl)ethyl]piperazine (2R,6R)-2,6-dimethyl-1-[2-(1-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) 1.24 4.82 -86.45 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.24 3.65 -32.45 2 3 1 20 226.388 3 ↓
Hi High (pH 8-9.5) 1.24 2.61 -37.15 2 3 1 23 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-ethyl-4-methyl-1-piperidyl)ethyl]piperazine 1-[2-(4-ethyl-4-methyl-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) 1.56 5.23 -90.04 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.56 3.87 -33.96 2 3 1 20 240.415 4 ↓
Hi High (pH 8-9.5) 1.56 2.99 -36.93 2 3 1 23 240.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4,4-diethyl-1-piperidyl)ethyl]piperazine 1-[2-(4,4-diethyl-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) 1.90 5.69 -90.97 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 1.90 4.33 -34.5 2 3 1 20 254.442 5 ↓
Hi High (pH 8-9.5) 1.90 3.47 -36.9 2 3 1 23 254.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopentyl-4-[2-(1-piperidyl)ethyl]piperazine 1-isopentyl-4-[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) 2.83 8.75 -86.46 2 3 2 12 269.477 6 ↓
Hi High (pH 8-9.5) 2.83 6.47 -32.4 1 3 1 11 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,3-dimethyl-1-piperidyl)ethyl]piperazine 1-[2-(3,3-dimethyl-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) 1.23 4.93 -88.46 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.23 3.56 -32.22 2 3 1 20 226.388 3 ↓

Analogs

41246219
41246219
71150679
71150679
37049310
37049310
37049290
37049290
22041919
22041919

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[2-(1-piperidyl)ethyl]piperazine 1-methyl-4-[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) 1.17 6.03 -83.6 2 3 2 12 213.369 3 ↓
Mid Mid (pH 6-8) 1.17 3.66 -32.79 1 3 1 11 212.361 3 ↓

Analogs

71150679
71150679
37049310
37049310
37049290
37049290
22041919
22041919

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[2-(1-piperidyl)ethyl]piperazine 1-ethyl-4-[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) 1.55 6.71 -83.37 2 3 2 12 227.396 4 ↓
Mid Mid (pH 6-8) 1.55 4.44 -32.61 1 3 1 11 226.388 4 ↓

Parameters Provided:

ring.id = 150059
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 = 150059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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