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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: (2S,6R)-2,6-dimethyl-1-(tetrahydropyran-4-ylmethyl)piperazine (2S,6R)-2,6-dimethyl-1-(tetrahyd…

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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 2.89 -39.7 2 3 1 29 213.345 2 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-1-(tetrahydropyran-4-ylmethyl)piperazine (2S,6S)-2,6-dimethyl-1-(tetrahyd…

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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 2.56 -38.97 2 3 1 29 213.345 2 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-1-(tetrahydropyran-4-ylmethyl)piperazine (2R,6R)-2,6-dimethyl-1-(tetrahyd…

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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 2.87 -39.24 2 3 1 29 213.345 2 ↓

Analogs

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Popular Name: (2R)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]-2-tetrahydropyran-4-yl-ethanamine (2R)-2-[4-[(1R)-1-methylpropyl]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) 0.99 3.57 -103.49 4 4 2 45 271.449 5 ↓
Hi High (pH 8-9.5) 0.99 1.61 -44.41 3 4 1 43 270.441 5 ↓

Analogs

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Popular Name: (2R)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-2-tetrahydropyran-4-yl-ethanamine (2R)-2-[4-[(1S)-1-methylpropyl]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) 0.99 3.59 -102.91 4 4 2 45 271.449 5 ↓
Hi High (pH 8-9.5) 0.99 1.63 -44.42 3 4 1 43 270.441 5 ↓

Analogs

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Popular Name: (2S)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]-2-tetrahydropyran-4-yl-ethanamine (2S)-2-[4-[(1R)-1-methylpropyl]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) 0.99 3.58 -101.19 4 4 2 45 271.449 5 ↓
Hi High (pH 8-9.5) 0.99 1.74 -44.21 3 4 1 43 270.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-2-tetrahydropyran-4-yl-ethanamine (2S)-2-[4-[(1S)-1-methylpropyl]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) 0.99 3.57 -101.09 4 4 2 45 271.449 5 ↓
Hi High (pH 8-9.5) 0.99 1.58 -44.19 3 4 1 43 270.441 5 ↓

Analogs

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Popular Name: 4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-carbaldehyde 4-[[4-[(1R)-1-methylpropyl]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) 1.72 5.7 -34.78 1 4 1 34 269.409 5 ↓
Hi High (pH 8-9.5) 1.72 3.88 -5.33 0 4 0 33 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-carbaldehyde 4-[[4-[(1S)-1-methylpropyl]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) 1.72 5.68 -35.92 1 4 1 34 269.409 5 ↓
Hi High (pH 8-9.5) 1.72 3.69 -5.29 0 4 0 33 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-yl]methyl]ethanamine N-[[4-[[4-[(1R)-1-methylpropyl]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) 1.71 6.61 -91.63 3 4 2 34 299.503 7 ↓
Hi High (pH 8-9.5) 1.71 4.8 -38.83 2 4 1 32 298.495 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-yl]methyl]ethanamine N-[[4-[[4-[(1S)-1-methylpropyl]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) 1.71 6.66 -91.61 3 4 2 34 299.503 7 ↓
Hi High (pH 8-9.5) 1.71 4.77 -38.82 2 4 1 32 298.495 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-yl]methanamine [4-[[4-[(1R)-1-methylpropyl]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) 0.70 3.77 -97.45 4 4 2 45 271.449 5 ↓
Hi High (pH 8-9.5) 0.70 1.9 -45.51 3 4 1 43 270.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-yl]methanamine [4-[[4-[(1S)-1-methylpropyl]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) 0.70 3.8 -97.25 4 4 2 45 271.449 5 ↓
Hi High (pH 8-9.5) 0.70 1.91 -45.25 3 4 1 43 270.441 5 ↓

Analogs

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Popular Name: N-methyl-1-[4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-yl]methanamine N-methyl-1-[4-[[4-[(1R)-1-methyl…

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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 5.74 -93.58 3 4 2 34 285.476 6 ↓
Hi High (pH 8-9.5) 1.68 3.83 -40.55 2 4 1 32 284.468 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-yl]methanamine N-methyl-1-[4-[[4-[(1S)-1-methyl…

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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 5.79 -91.35 3 4 2 34 285.476 6 ↓
Hi High (pH 8-9.5) 1.68 3.89 -39.9 2 4 1 32 284.468 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-carboxylic 4-[[4-[(1R)-1-methylpropyl]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) 1.15 6.37 -51.4 1 5 0 57 284.4 5 ↓
Hi High (pH 8-9.5) 1.15 4.5 -48.23 0 5 -1 56 283.392 5 ↓
Hi High (pH 8-9.5) 1.15 6.06 -38.35 1 5 0 57 284.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-carboxylic 4-[[4-[(1S)-1-methylpropyl]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) 1.15 6.3 -52.28 1 5 0 57 284.4 5 ↓
Hi High (pH 8-9.5) 1.15 4.49 -48.5 0 5 -1 56 283.392 5 ↓
Hi High (pH 8-9.5) 1.15 6.04 -38.22 1 5 0 57 284.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-yl]methanol [4-[[4-[(1R)-1-methylpropyl]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) 1.27 3.17 -36.78 2 4 1 37 271.425 5 ↓
Hi High (pH 8-9.5) 1.27 1.3 -3.62 1 4 0 36 270.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-yl]methanol [4-[[4-[(1S)-1-methylpropyl]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) 1.27 3.23 -36.83 2 4 1 37 271.425 5 ↓
Hi High (pH 8-9.5) 1.27 1.33 -3.61 1 4 0 36 270.417 5 ↓

Analogs

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Popular Name: (2R)-2-(4-isobutylpiperazin-1-yl)-2-tetrahydropyran-4-yl-ethanamine (2R)-2-(4-isobutylpiperazin-1-yl…

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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) 0.90 3.92 -105.24 4 4 2 45 271.449 5 ↓
Hi High (pH 8-9.5) 0.90 1.92 -44.51 3 4 1 43 270.441 5 ↓

Analogs

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Popular Name: (2S)-2-(4-isobutylpiperazin-1-yl)-2-tetrahydropyran-4-yl-ethanamine (2S)-2-(4-isobutylpiperazin-1-yl…

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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) 0.90 3.9 -103.29 4 4 2 45 271.449 5 ↓
Hi High (pH 8-9.5) 0.90 1.8 -44.31 3 4 1 43 270.441 5 ↓

Analogs

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Popular Name: 4-[(4-isobutylpiperazin-1-yl)methyl]tetrahydropyran-4-carbaldehyde 4-[(4-isobutylpiperazin-1-yl)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) 1.63 6.01 -37.33 1 4 1 34 269.409 5 ↓
Hi High (pH 8-9.5) 1.63 4.04 -5.64 0 4 0 33 268.401 5 ↓

Analogs

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Popular Name: N-[[4-[(4-isobutylpiperazin-1-yl)methyl]tetrahydropyran-4-yl]methyl]ethanamine N-[[4-[(4-isobutylpiperazin-1-yl…

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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) 1.62 8.62 -99.02 3 4 2 34 299.503 7 ↓
Hi High (pH 8-9.5) 1.62 6.67 -34.82 2 4 1 32 298.495 7 ↓

Analogs

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Popular Name: [4-[(4-isobutylpiperazin-1-yl)methyl]tetrahydropyran-4-yl]methanamine [4-[(4-isobutylpiperazin-1-yl)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) 0.62 4.11 -99.02 4 4 2 45 271.449 5 ↓
Hi High (pH 8-9.5) 0.62 2.2 -45.48 3 4 1 43 270.441 5 ↓

Analogs

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Popular Name: 1-[4-[(4-isobutylpiperazin-1-yl)methyl]tetrahydropyran-4-yl]-N-methyl-methanamine 1-[4-[(4-isobutylpiperazin-1-yl)…

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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) 1.60 6.13 -96.05 3 4 2 34 285.476 6 ↓
Hi High (pH 8-9.5) 1.60 3.9 -40.59 2 4 1 32 284.468 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-isobutylpiperazin-1-yl)methyl]tetrahydropyran-4-carboxylic 4-[(4-isobutylpiperazin-1-yl)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) 1.06 6.71 -53.05 1 5 0 57 284.4 5 ↓
Hi High (pH 8-9.5) 1.06 4.81 -47.8 0 5 -1 56 283.392 5 ↓
Hi High (pH 8-9.5) 1.06 6.36 -38.36 1 5 0 57 284.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-isobutylpiperazin-1-yl)methyl]tetrahydropyran-4-yl]methanol [4-[(4-isobutylpiperazin-1-yl)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) 1.18 3.53 -38.71 2 4 1 37 271.425 5 ↓
Hi High (pH 8-9.5) 1.18 1.53 -3.75 1 4 0 36 270.417 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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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 = 256094 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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