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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-[4-[(1R)-1-methylpropyl]piperazin-1-yl]cyclooctyl]methanamine [1-[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) 3.23 6.43 -100.01 4 3 2 35 283.504 4 ↓
Hi High (pH 8-9.5) 3.23 4.6 -43.13 3 3 1 34 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[4-[(1S)-1-methylpropyl]piperazin-1-yl]cyclooctyl]methanamine [1-[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) 3.23 6.74 -100.72 4 3 2 35 283.504 4 ↓
Hi High (pH 8-9.5) 3.23 4.85 -45.17 3 3 1 34 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2R)-N-methyl-2-[4-[(1R)-1-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) 3.62 7.27 -89.71 3 3 2 24 283.504 4 ↓
Hi High (pH 8-9.5) 3.62 6.47 -31.49 2 3 1 20 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2R)-N-methyl-2-[4-[(1S)-1-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) 3.62 7.28 -89.44 3 3 2 24 283.504 4 ↓
Hi High (pH 8-9.5) 3.62 6.51 -31.53 2 3 1 20 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2S)-N-methyl-2-[4-[(1R)-1-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) 3.62 7.99 -93.62 3 3 2 24 283.504 4 ↓
Hi High (pH 8-9.5) 3.62 7.62 -29.22 2 3 1 20 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2S)-N-methyl-2-[4-[(1S)-1-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) 3.62 7.98 -93.21 3 3 2 24 283.504 4 ↓
Hi High (pH 8-9.5) 3.62 7.57 -29.16 2 3 1 20 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2R)-2-[4-[(1R)-1-methylpropy…

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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 5.43 -94.83 4 3 2 35 269.477 3 ↓
Hi High (pH 8-9.5) 2.72 3.6 -40.29 3 3 1 34 268.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2R)-2-[4-[(1S)-1-methylpropy…

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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 5.43 -94.54 4 3 2 35 269.477 3 ↓
Hi High (pH 8-9.5) 2.72 3.53 -40.38 3 3 1 34 268.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2S)-2-[4-[(1R)-1-methylpropy…

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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 6.58 -98.42 4 3 2 35 269.477 3 ↓
Hi High (pH 8-9.5) 2.72 4.45 -38.85 3 3 1 34 268.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2S)-2-[4-[(1S)-1-methylpropy…

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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 6.58 -98.89 4 3 2 35 269.477 3 ↓
Hi High (pH 8-9.5) 2.72 4.29 -38.75 3 3 1 34 268.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2R)-N-ethyl-2-[4-[(1R)-1-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) 4.00 8.1 -89.11 3 3 2 24 297.531 5 ↓
Hi High (pH 8-9.5) 4.00 7.39 -31.77 2 3 1 20 296.523 5 ↓
Hi High (pH 8-9.5) 4.00 6.18 -33.61 2 3 1 23 296.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2R)-N-ethyl-2-[4-[(1S)-1-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) 4.00 8.12 -88.81 3 3 2 24 297.531 5 ↓
Hi High (pH 8-9.5) 4.00 7.43 -31.75 2 3 1 20 296.523 5 ↓
Hi High (pH 8-9.5) 4.00 6.22 -33.71 2 3 1 23 296.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2S)-N-ethyl-2-[4-[(1R)-1-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) 4.00 8.82 -92.5 3 3 2 24 297.531 5 ↓
Hi High (pH 8-9.5) 4.00 7.03 -32.13 2 3 1 23 296.523 5 ↓
Hi High (pH 8-9.5) 4.00 8.48 -29.2 2 3 1 20 296.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]cyclooctanamine (1S,2S)-N-ethyl-2-[4-[(1S)-1-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) 4.00 9.19 -92.43 3 3 2 24 297.531 5 ↓
Hi High (pH 8-9.5) 4.00 8.4 -29.22 2 3 1 20 296.523 5 ↓
Hi High (pH 8-9.5) 4.00 7.37 -32.14 2 3 1 23 296.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]cyclooctanol (1S,2R)-2-[4-[(1R)-1-methylpropy…

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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) 3.21 4.95 -29.01 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 3.21 3.01 -1.94 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]cyclooctanol (1S,2R)-2-[4-[(1S)-1-methylpropy…

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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) 3.21 4.95 -28.88 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 3.21 3.06 -1.87 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]cyclooctanol (1S,2S)-2-[4-[(1R)-1-methylpropy…

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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) 3.21 5.31 -28.75 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 3.21 3.53 -2.07 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]cyclooctanol (1S,2S)-2-[4-[(1S)-1-methylpropy…

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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) 3.21 5.34 -28.79 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 3.21 3.44 -2.05 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(4-isobutylpiperazin-1-yl)cyclooctyl]methanamine [1-(4-isobutylpiperazin-1-yl)cyc…

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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) 3.15 6.79 -101.84 4 3 2 35 283.504 4 ↓
Hi High (pH 8-9.5) 3.15 4.93 -43.06 3 3 1 34 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-isobutylpiperazin-1-yl)-N-methyl-cyclooctanamine (1S,2R)-2-(4-isobutylpiperazin-1…

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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) 3.54 7.6 -91.72 3 3 2 24 283.504 4 ↓
Hi High (pH 8-9.5) 3.54 6.53 -32.94 2 3 1 20 282.496 4 ↓
Hi High (pH 8-9.5) 3.54 5.76 -35.09 2 3 1 23 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-isobutylpiperazin-1-yl)-N-methyl-cyclooctanamine (1S,2S)-2-(4-isobutylpiperazin-1…

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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) 3.54 8.71 -95.65 3 3 2 24 283.504 4 ↓
Hi High (pH 8-9.5) 3.54 8.05 -31.48 2 3 1 20 282.496 4 ↓
Hi High (pH 8-9.5) 3.54 6.72 -33.57 2 3 1 23 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-isobutylpiperazin-1-yl)-N-methyl-cyclooctanamine (1R,2R)-2-(4-isobutylpiperazin-1…

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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) 3.54 8.35 -95.45 3 3 2 24 283.504 4 ↓
Hi High (pH 8-9.5) 3.54 7.66 -29.8 2 3 1 20 282.496 4 ↓
Hi High (pH 8-9.5) 3.54 6.43 -32.99 2 3 1 23 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-isobutylpiperazin-1-yl)-N-methyl-cyclooctanamine (1R,2S)-2-(4-isobutylpiperazin-1…

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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) 3.54 7.47 -96.42 3 3 2 24 283.504 4 ↓
Hi High (pH 8-9.5) 3.54 6.76 -29.91 2 3 1 20 282.496 4 ↓
Hi High (pH 8-9.5) 3.54 5.59 -34.47 2 3 1 23 282.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-isobutylpiperazin-1-yl)cyclooctanamine (1S,2R)-2-(4-isobutylpiperazin-1…

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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) 2.63 5.74 -96.79 4 3 2 35 269.477 3 ↓
Hi High (pH 8-9.5) 2.63 3.87 -40.35 3 3 1 34 268.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-isobutylpiperazin-1-yl)cyclooctanamine (1S,2S)-2-(4-isobutylpiperazin-1…

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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) 2.63 6.91 -100.98 4 3 2 35 269.477 3 ↓
Hi High (pH 8-9.5) 2.63 4.73 -38.79 3 3 1 34 268.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-isobutylpiperazin-1-yl)cyclooctanamine (1R,2R)-2-(4-isobutylpiperazin-1…

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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) 2.63 6.65 -101 4 3 2 35 269.477 3 ↓
Hi High (pH 8-9.5) 2.63 4.69 -38.26 3 3 1 34 268.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-isobutylpiperazin-1-yl)cyclooctanamine (1R,2S)-2-(4-isobutylpiperazin-1…

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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) 2.63 5.74 -96.55 4 3 2 35 269.477 3 ↓
Hi High (pH 8-9.5) 2.63 3.9 -40.37 3 3 1 34 268.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(4-isobutylpiperazin-1-yl)cyclooctanamine (1R,2S)-N-ethyl-2-(4-isobutylpip…

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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) 3.92 8.43 -90.81 3 3 2 24 297.531 5 ↓
Hi High (pH 8-9.5) 3.92 6.43 -33.05 2 3 1 23 296.523 5 ↓
Hi High (pH 8-9.5) 3.92 7.77 -33.1 2 3 1 20 296.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(4-isobutylpiperazin-1-yl)cyclooctanamine (1S,2S)-N-ethyl-2-(4-isobutylpip…

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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) 3.92 9.15 -94.58 3 3 2 24 297.531 5 ↓
Hi High (pH 8-9.5) 3.92 7.18 -31.68 2 3 1 23 296.523 5 ↓
Hi High (pH 8-9.5) 3.92 8.48 -29.9 2 3 1 20 296.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-(4-isobutylpiperazin-1-yl)cyclooctanamine (1R,2R)-N-ethyl-2-(4-isobutylpip…

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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) 3.92 9.54 -94.78 3 3 2 24 297.531 5 ↓
Hi High (pH 8-9.5) 3.92 7.56 -32.17 2 3 1 23 296.523 5 ↓
Hi High (pH 8-9.5) 3.92 8.94 -31.33 2 3 1 20 296.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-(4-isobutylpiperazin-1-yl)cyclooctanamine (1S,2R)-N-ethyl-2-(4-isobutylpip…

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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) 3.92 8.84 -93.88 3 3 2 24 297.531 5 ↓
Hi High (pH 8-9.5) 3.92 6.86 -33.21 2 3 1 23 296.523 5 ↓
Hi High (pH 8-9.5) 3.92 7.61 -29.81 2 3 1 20 296.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-isobutylpiperazin-1-yl)cyclooctanol (1S,2R)-2-(4-isobutylpiperazin-1…

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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) 3.12 5.28 -30.82 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 3.12 3.31 -1.91 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-isobutylpiperazin-1-yl)cyclooctanol (1S,2S)-2-(4-isobutylpiperazin-1…

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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) 3.12 5.69 -30.36 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 3.12 3.7 -2.19 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-isobutylpiperazin-1-yl)cyclooctanol (1R,2R)-2-(4-isobutylpiperazin-1…

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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) 3.12 5.65 -30.57 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 3.12 3.67 -2.09 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-isobutylpiperazin-1-yl)cyclooctanol (1R,2S)-2-(4-isobutylpiperazin-1…

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Activity (Go SEA)

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) 3.12 5.4 -32.2 2 3 1 28 269.453 3 ↓
Hi High (pH 8-9.5) 3.12 3.44 -1.9 1 3 0 27 268.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclooctyl-4-propylsulfonyl-piperazine 1-cyclooctyl-4-propylsulfonyl-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) 3.40 4.34 -8.45 0 4 0 41 302.484 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-tert-butylpiperazin-1-yl)cyclooctanamine (1S,2R)-2-(4-tert-butylpiperazin…

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Activity (Go SEA)

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) 2.69 5.05 -93.63 4 3 2 35 269.477 2 ↓
Hi High (pH 8-9.5) 2.69 2.92 -40.47 3 3 1 34 268.469 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-tert-butylpiperazin-1-yl)cyclooctanamine (1S,2S)-2-(4-tert-butylpiperazin…

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Activity (Go SEA)

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) 2.69 6.21 -97.69 4 3 2 35 269.477 2 ↓
Hi High (pH 8-9.5) 2.69 3.87 -39.03 3 3 1 34 268.469 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-tert-butylpiperazin-1-yl)cyclooctanamine (1R,2R)-2-(4-tert-butylpiperazin…

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Activity (Go SEA)

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) 2.69 5.95 -97.79 4 3 2 35 269.477 2 ↓
Hi High (pH 8-9.5) 2.69 3.82 -38.39 3 3 1 34 268.469 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-tert-butylpiperazin-1-yl)cyclooctanamine (1R,2S)-2-(4-tert-butylpiperazin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.69 5.05 -93.61 4 3 2 35 269.477 2 ↓
Hi High (pH 8-9.5) 2.69 2.92 -40.41 3 3 1 34 268.469 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-piperazin-1-ylcyclooctyl)methanol (1-piperazin-1-ylcyclooctyl)meth…

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Activity (Go SEA)

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 1.49 -37.35 3 3 1 40 227.372 2 ↓
Mid Mid (pH 6-8) 1.99 2 -27.04 3 3 1 37 227.372 2 ↓
Mid Mid (pH 6-8) 1.99 0.12 -2.98 2 3 0 35 226.364 2 ↓

Parameters Provided:

ring.id = 391709
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 = 391709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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