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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: 1-(m-tolyl)-4-[[(3R)-3-piperidyl]methyl]piperazine 1-(m-tolyl)-4-[[(3R)-3-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) 2.56 7.97 -113.33 3 3 2 24 275.44 3 ↓
Mid Mid (pH 6-8) 2.56 5.96 -40.31 2 3 1 23 274.432 3 ↓

Analogs

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Popular Name: 1-(m-tolyl)-4-[[(3S)-3-piperidyl]methyl]piperazine 1-(m-tolyl)-4-[[(3S)-3-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) 2.56 7.91 -113.09 3 3 2 24 275.44 3 ↓
Mid Mid (pH 6-8) 2.56 5.88 -40.42 2 3 1 23 274.432 3 ↓

Analogs

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Popular Name: (3S)-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methyl-piperidin-3-ol (3S)-3-[[4-(2,3-dimethylphenyl)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) 2.59 8.19 -32.16 2 4 1 31 318.485 3 ↓
Mid Mid (pH 6-8) 2.59 8.12 -79.58 3 4 2 32 319.493 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methyl-piperidin-3-ol (3R)-3-[[4-(2,3-dimethylphenyl)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) 2.59 8.2 -32.2 2 4 1 31 318.485 3 ↓
Mid Mid (pH 6-8) 2.59 8.06 -79.36 3 4 2 32 319.493 3 ↓

Analogs

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Popular Name: 1-[[(3S)-3-ethyl-3-piperidyl]methyl]-4-phenyl-piperazine 1-[[(3S)-3-ethyl-3-piperidyl]met…

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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) 2.72 9.15 -102.94 3 3 2 24 289.467 4 ↓
Mid Mid (pH 6-8) 2.72 7.45 -40.07 2 3 1 23 288.459 4 ↓

Analogs

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Popular Name: 1-[[(3R)-3-ethyl-3-piperidyl]methyl]-4-phenyl-piperazine 1-[[(3R)-3-ethyl-3-piperidyl]met…

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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) 2.72 9.07 -116.55 3 3 2 24 289.467 4 ↓
Mid Mid (pH 6-8) 2.72 7.35 -40.21 2 3 1 23 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-methyl-3-piperidyl]methyl]-4-phenyl-piperazine 1-[[(3S)-3-methyl-3-piperidyl]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) 2.38 8.54 -104.06 3 3 2 24 275.44 3 ↓
Mid Mid (pH 6-8) 2.38 7.21 -39.71 2 3 1 23 274.432 3 ↓

Analogs

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Popular Name: 1-[[(3R)-3-methyl-3-piperidyl]methyl]-4-phenyl-piperazine 1-[[(3R)-3-methyl-3-piperidyl]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) 2.38 8.63 -103.17 3 3 2 24 275.44 3 ↓
Mid Mid (pH 6-8) 2.38 6.87 -39.97 2 3 1 23 274.432 3 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-(4-fluorophenyl)-4-[[(3S)-3-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) 2.55 8.7 -107.88 3 3 2 24 293.43 3 ↓
Mid Mid (pH 6-8) 2.55 7.07 -41.53 2 3 1 23 292.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-(4-fluorophenyl)-4-[[(3R)-3-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) 2.55 8.74 -107.91 3 3 2 24 293.43 3 ↓
Mid Mid (pH 6-8) 2.55 7.14 -41.46 2 3 1 23 292.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-methyl-3-piperidyl]methyl]-4-(m-tolyl)piperazine 1-[[(3R)-3-methyl-3-piperidyl]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) 2.81 9.29 -103.34 3 3 2 24 289.467 3 ↓
Mid Mid (pH 6-8) 2.81 7.85 -39.76 2 3 1 23 288.459 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-methyl-3-piperidyl]methyl]-4-(m-tolyl)piperazine 1-[[(3S)-3-methyl-3-piperidyl]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) 2.81 9.2 -104.25 3 3 2 24 289.467 3 ↓
Mid Mid (pH 6-8) 2.81 7.87 -39.89 2 3 1 23 288.459 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-(3-chlorophenyl)-4-[[(3S)-3-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) 3.04 7.72 -40.15 2 3 1 23 308.877 3 ↓
Mid Mid (pH 6-8) 3.04 9.05 -106.46 3 3 2 24 309.885 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-(3-chlorophenyl)-4-[[(3R)-3-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) 3.04 7.38 -40.46 2 3 1 23 308.877 3 ↓
Mid Mid (pH 6-8) 3.04 9.14 -105.35 3 3 2 24 309.885 3 ↓

Analogs

34940088
34940088
34940089
34940089

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-(2-chlorophenyl)-4-[[(3S)-3-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) 3.01 8.17 -38.03 2 3 1 23 308.877 3 ↓
Mid Mid (pH 6-8) 3.01 9.77 -96.96 3 3 2 24 309.885 3 ↓

Analogs

34940088
34940088
34940089
34940089

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-(2-chlorophenyl)-4-[[(3R)-3-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) 3.01 8.04 -37.97 2 3 1 23 308.877 3 ↓
Mid Mid (pH 6-8) 3.01 9.76 -97.01 3 3 2 24 309.885 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-(4-chlorophenyl)-4-[[(3S)-3-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) 3.06 9.15 -106.65 3 3 2 24 309.885 3 ↓
Mid Mid (pH 6-8) 3.06 7.54 -40.7 2 3 1 23 308.877 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-(4-chlorophenyl)-4-[[(3R)-3-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) 3.06 9.19 -106.68 3 3 2 24 309.885 3 ↓
Mid Mid (pH 6-8) 3.06 7.61 -40.62 2 3 1 23 308.877 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-(2-fluorophenyl)-4-[[(3S)-3-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) 2.50 9.15 -97.3 3 3 2 24 293.43 3 ↓
Mid Mid (pH 6-8) 2.50 7.56 -39.45 2 3 1 23 292.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-(2-fluorophenyl)-4-[[(3R)-3-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) 2.50 9.14 -97.35 3 3 2 24 293.43 3 ↓
Mid Mid (pH 6-8) 2.50 7.43 -39.34 2 3 1 23 292.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-4-[[(3R)-3-piperidyl]methyl]piperazine 1-(4-chlorophenyl)-4-[[(3R)-3-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) 2.82 8.81 -109.47 3 3 2 24 295.858 3 ↓
Mid Mid (pH 6-8) 2.82 6.89 -41.23 2 3 1 23 294.85 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-4-[[(3S)-3-piperidyl]methyl]piperazine 1-(4-chlorophenyl)-4-[[(3S)-3-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) 2.82 8.81 -109.46 3 3 2 24 295.858 3 ↓
Mid Mid (pH 6-8) 2.82 6.85 -41.41 2 3 1 23 294.85 3 ↓

Parameters Provided:

ring.id = 48129
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 = 48129 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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