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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: 2-(4-ethylpiperazin-1-yl)-N-(3-methylsulfanylpropyl)indane-2-carboxamide 2-(4-ethylpiperazin-1-yl)-N-(3-m…

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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) 2.37 8.91 -45.04 2 4 1 37 362.563 7 ↓
Mid Mid (pH 6-8) 2.37 8.51 -41.82 2 4 1 37 362.563 7 ↓
Mid Mid (pH 6-8) 2.37 6.67 -7.58 1 4 0 36 361.555 7 ↓

Analogs

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Popular Name: [2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]indan-2-yl]methanamine [2-[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) 2.10 6.84 -104.21 4 3 2 35 289.467 4 ↓
Hi High (pH 8-9.5) 2.10 4.92 -44.44 3 3 1 34 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]indan-2-yl]methanamine [2-[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) 2.10 6.89 -103.81 4 3 2 35 289.467 4 ↓
Hi High (pH 8-9.5) 2.10 4.97 -44.5 3 3 1 34 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]indan-1-amine (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) 2.79 8.55 -95.85 3 3 2 24 289.467 4 ↓
Hi High (pH 8-9.5) 2.79 5.64 -2.08 1 3 0 19 287.451 4 ↓
Mid Mid (pH 6-8) 2.79 7.68 -35.25 2 3 1 20 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]indan-1-amine (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) 2.79 8.54 -95.35 3 3 2 24 289.467 4 ↓
Hi High (pH 8-9.5) 2.79 5.75 -2.08 1 3 0 19 287.451 4 ↓
Mid Mid (pH 6-8) 2.79 7.7 -35.24 2 3 1 20 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]indan-1-amine (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) 2.79 7.55 -93.72 3 3 2 24 289.467 4 ↓
Hi High (pH 8-9.5) 2.79 4.53 -2.69 1 3 0 19 287.451 4 ↓
Mid Mid (pH 6-8) 2.79 6.35 -33.92 2 3 1 20 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]indan-1-amine (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) 2.79 7.17 -88.08 3 3 2 24 289.467 4 ↓
Hi High (pH 8-9.5) 2.79 4.08 -2.34 1 3 0 19 287.451 4 ↓
Mid Mid (pH 6-8) 2.79 5.97 -31.98 2 3 1 20 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]indan-1-amine (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) 0.54 6.85 -101.14 4 3 2 35 275.44 3 ↓
Hi High (pH 8-9.5) 0.54 4.74 -2.31 2 3 0 32 273.424 3 ↓
Mid Mid (pH 6-8) 0.54 6.58 -34.1 3 3 1 34 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]indan-1-amine (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) 0.54 6.82 -100.8 4 3 2 35 275.44 3 ↓
Hi High (pH 8-9.5) 0.54 4.73 -2.35 2 3 0 32 273.424 3 ↓
Mid Mid (pH 6-8) 0.54 6.55 -34.02 3 3 1 34 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]indan-1-amine (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) 0.54 5.89 -99.17 4 3 2 35 275.44 3 ↓
Hi High (pH 8-9.5) 0.54 3.78 -2.71 2 3 0 32 273.424 3 ↓
Mid Mid (pH 6-8) 0.54 5.6 -33.32 3 3 1 34 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]indan-1-amine (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) 0.54 5.9 -99.55 4 3 2 35 275.44 3 ↓
Hi High (pH 8-9.5) 0.54 3.71 -2.69 2 3 0 32 273.424 3 ↓
Mid Mid (pH 6-8) 0.54 5.6 -33.3 3 3 1 34 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]indan-1-ol (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) 2.24 6.07 -32.42 2 3 1 28 275.416 3 ↓
Hi High (pH 8-9.5) 2.24 4.24 -3.57 1 3 0 27 274.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]indan-1-ol (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) 2.24 6.05 -32.5 2 3 1 28 275.416 3 ↓
Hi High (pH 8-9.5) 2.24 4.15 -3.63 1 3 0 27 274.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]indan-1-ol (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) 2.24 5.3 -33.76 2 3 1 28 275.416 3 ↓
Hi High (pH 8-9.5) 2.24 3.48 -3.75 1 3 0 27 274.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]indan-1-ol (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) 2.24 4.94 -32.4 2 3 1 28 275.416 3 ↓
Hi High (pH 8-9.5) 2.24 3.05 -3.11 1 3 0 27 274.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-isobutylpiperazin-1-yl)indan-2-yl]methanamine [2-(4-isobutylpiperazin-1-yl)ind…

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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) 2.02 7.22 -106.01 4 3 2 35 289.467 4 ↓
Hi High (pH 8-9.5) 2.02 5.33 -44.41 3 3 1 34 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-isobutylpiperazin-1-yl)-N-methyl-indan-1-amine (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) 2.70 8.92 -97.98 3 3 2 24 289.467 4 ↓
Hi High (pH 8-9.5) 2.70 6.08 -2.24 1 3 0 19 287.451 4 ↓
Mid Mid (pH 6-8) 2.70 7.92 -37.06 2 3 1 20 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-isobutylpiperazin-1-yl)-N-methyl-indan-1-amine (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) 2.70 7.89 -95.56 3 3 2 24 289.467 4 ↓
Hi High (pH 8-9.5) 2.70 4.82 -2.8 1 3 0 19 287.451 4 ↓
Mid Mid (pH 6-8) 2.70 6.68 -35.79 2 3 1 20 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-isobutylpiperazin-1-yl)-N-methyl-indan-1-amine (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) 2.70 7.88 -99.78 3 3 2 24 289.467 4 ↓
Hi High (pH 8-9.5) 2.70 5.03 -1.83 1 3 0 19 287.451 4 ↓
Mid Mid (pH 6-8) 2.70 7 -32.98 2 3 1 20 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-isobutylpiperazin-1-yl)-N-methyl-indan-1-amine (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) 2.70 9.16 -94.69 3 3 2 24 289.467 4 ↓
Hi High (pH 8-9.5) 2.70 5.32 -1.43 1 3 0 19 287.451 4 ↓
Mid Mid (pH 6-8) 2.70 7.15 -31.93 2 3 1 20 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-isobutylpiperazin-1-yl)indan-1-amine (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) 0.45 7.16 -103.44 4 3 2 35 275.44 3 ↓
Hi High (pH 8-9.5) 0.45 5.04 -2.36 2 3 0 32 273.424 3 ↓
Mid Mid (pH 6-8) 0.45 6.82 -35.36 3 3 1 34 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-isobutylpiperazin-1-yl)indan-1-amine (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) 0.45 6.23 -101.19 4 3 2 35 275.44 3 ↓
Hi High (pH 8-9.5) 0.45 4.07 -2.81 2 3 0 32 273.424 3 ↓
Mid Mid (pH 6-8) 0.45 5.93 -35.11 3 3 1 34 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-isobutylpiperazin-1-yl)indan-1-amine (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) 0.45 6.44 -104.8 4 3 2 35 275.44 3 ↓
Hi High (pH 8-9.5) 0.45 4.3 -1.96 2 3 0 32 273.424 3 ↓
Mid Mid (pH 6-8) 0.45 6.16 -33.08 3 3 1 34 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-isobutylpiperazin-1-yl)indan-1-amine (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) 0.45 7.15 -103.72 4 3 2 35 275.44 3 ↓
Hi High (pH 8-9.5) 0.45 4.86 -1.54 2 3 0 32 273.424 3 ↓
Mid Mid (pH 6-8) 0.45 6.87 -32.73 3 3 1 34 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-isobutylpiperazin-1-yl)indan-1-ol (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) 2.15 6.4 -34.14 2 3 1 28 275.416 3 ↓
Hi High (pH 8-9.5) 2.15 4.58 -3.66 1 3 0 27 274.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-isobutylpiperazin-1-yl)indan-1-ol (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) 2.15 5.27 -34.11 2 3 1 28 275.416 3 ↓
Hi High (pH 8-9.5) 2.15 3.32 -3.19 1 3 0 27 274.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-isobutylpiperazin-1-yl)indan-1-ol (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) 2.15 5.88 -35.14 2 3 1 28 275.416 3 ↓
Hi High (pH 8-9.5) 2.15 4 -3.86 1 3 0 27 274.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-isobutylpiperazin-1-yl)indan-1-ol (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) 2.15 6.41 -34.16 2 3 1 28 275.416 3 ↓
Hi High (pH 8-9.5) 2.15 4.44 -3.77 1 3 0 27 274.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.51 6.46 -100.3 4 3 2 35 275.44 2 ↓
Hi High (pH 8-9.5) 0.51 4.33 -39.44 3 3 1 34 274.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.51 5.53 -98.63 4 3 2 35 275.44 2 ↓
Hi High (pH 8-9.5) 0.51 3.4 -44.85 3 3 1 34 274.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.51 5.74 -102.28 4 3 2 35 275.44 2 ↓
Hi High (pH 8-9.5) 0.51 3.61 -43.44 3 3 1 34 274.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.51 6.43 -100.27 4 3 2 35 275.44 2 ↓
Hi High (pH 8-9.5) 0.51 4.3 -39.33 3 3 1 34 274.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethylpiperazin-1-yl)indane-2-carboxylic 2-(4-ethylpiperazin-1-yl)indane-…

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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) -0.27 7.65 -30.3 1 4 0 48 274.364 3 ↓
Hi High (pH 8-9.5) -0.27 5.6 -48.69 0 4 -1 47 273.356 3 ↓
Lo Low (pH 4.5-6) -0.27 9.95 -87.84 2 4 1 49 275.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-indan-2-ylpiperazin-1-yl)-2-methylsulfonyl-ethanone 1-(4-indan-2-ylpiperazin-1-yl)-2…

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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) 0.74 3.97 -24.95 0 5 0 58 322.43 3 ↓
Mid Mid (pH 6-8) 0.74 6.12 -67.98 1 5 1 59 323.438 3 ↓

Parameters Provided:

ring.id = 139156
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 = 139156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=139156&filter.purchasability=annotated

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