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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-chloro-4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(4-cyclopenty…

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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) 1.80 9.2 -89.81 4 3 2 35 309.885 3 ↓
Hi High (pH 8-9.5) 1.80 7.04 -46.62 3 3 1 34 308.877 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(4-cyclopenty…

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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) 1.80 9.19 -89.82 4 3 2 35 309.885 3 ↓
Hi High (pH 8-9.5) 1.80 7.03 -46.68 3 3 1 34 308.877 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(4-cyclopentyl…

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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) 1.93 9.38 -89.89 4 3 2 35 354.336 3 ↓
Hi High (pH 8-9.5) 1.93 7.23 -46.53 3 3 1 34 353.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(4-cyclopentyl…

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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) 1.93 9.37 -89.9 4 3 2 35 354.336 3 ↓
Hi High (pH 8-9.5) 1.93 7.22 -46.49 3 3 1 34 353.328 3 ↓

Analogs

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Popular Name: 5-(4-cyclopentylpiperazin-1-yl)-2-methyl-aniline 5-(4-cyclopentylpiperazin-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) 3.19 7.9 -35.45 3 3 1 34 260.405 2 ↓
Hi High (pH 8-9.5) 3.19 5.75 -3.44 2 3 0 32 259.397 2 ↓

Analogs

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Popular Name: 2-(4-cyclopentylpiperazin-1-yl)-5-nitro-aniline 2-(4-cyclopentylpiperazin-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) 2.70 8.71 -45.04 3 6 1 80 291.375 3 ↓
Hi High (pH 8-9.5) 2.70 6.55 -4.64 2 6 0 78 290.367 3 ↓

Analogs

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Popular Name: [5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine [5-chloro-2-(4-cyclopentylpipera…

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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 8.57 -107.6 4 3 2 35 295.858 3 ↓
Hi High (pH 8-9.5) 3.12 6.4 -44.58 3 3 1 34 294.85 3 ↓

Analogs

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Popular Name: 5-chloro-2-(4-cyclopentylpiperazin-1-yl)benzenecarbothioamide 5-chloro-2-(4-cyclopentylpiperaz…

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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) 3.74 9.57 -33.21 3 3 1 34 324.901 3 ↓
Hi High (pH 8-9.5) 3.74 7.41 -7.11 2 3 0 32 323.893 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(4-cyclopentylpiperazin-1-yl)benzonitrile 5-chloro-2-(4-cyclopentylpiperaz…

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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) 3.69 10.82 -34.36 1 3 1 31 290.818 2 ↓
Hi High (pH 8-9.5) 3.69 8.47 -4.51 0 3 0 30 289.81 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(4-cyclopentylpiperazin-1-yl)benzamidine 5-chloro-2-(4-cyclopentylpiperaz…

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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) 2.32 8.1 -92.72 5 4 2 59 308.857 3 ↓
Hi High (pH 8-9.5) 2.32 5.95 -31.31 4 4 1 58 307.849 3 ↓
Hi High (pH 8-9.5) 2.32 7.01 -2.72 3 4 0 56 306.841 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-(4-cyclopentylpiperazin-1-yl)benzamidine 2-chloro-6-(4-cyclopentylpiperaz…

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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) 2.30 7.69 -37.42 4 4 1 58 307.849 3 ↓
Hi High (pH 8-9.5) 2.30 5.54 -4.21 3 4 0 56 306.841 3 ↓
Mid Mid (pH 6-8) 2.30 7.7 -88.62 5 4 2 59 308.857 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-(4-cyclopentylpiperazin-1-yl)benzenecarbothioamide 2-chloro-6-(4-cyclopentylpiperaz…

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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) 3.71 9.55 -44.31 3 3 1 34 324.901 3 ↓
Hi High (pH 8-9.5) 3.71 7.4 -10.3 2 3 0 32 323.893 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine [4-chloro-2-(4-cyclopentylpipera…

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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 8.56 -108.08 4 3 2 35 295.858 3 ↓
Hi High (pH 8-9.5) 3.12 6.4 -47.06 3 3 1 34 294.85 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(4-cyclopentylpiperazin-1-yl)benzoic 4-chloro-2-(4-cyclopentylpiperaz…

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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) 4.03 11.33 -51.84 1 4 0 48 308.809 3 ↓
Hi High (pH 8-9.5) 4.03 9.18 -46.65 0 4 -1 47 307.801 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(4-cyclopentylpiperazin-1-yl)benzenecarbothioamide 4-chloro-2-(4-cyclopentylpiperaz…

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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) 3.74 9.57 -31.95 3 3 1 34 324.901 3 ↓
Hi High (pH 8-9.5) 3.74 7.41 -8.4 2 3 0 32 323.893 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(4-cyclopentylpiperazin-1-yl)benzamidine 4-chloro-2-(4-cyclopentylpiperaz…

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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) 2.32 8.1 -92.57 5 4 2 59 308.857 3 ↓
Hi High (pH 8-9.5) 2.32 7.02 -3.52 3 4 0 56 306.841 3 ↓
Hi High (pH 8-9.5) 2.32 5.94 -33.42 4 4 1 58 307.849 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(4-cyclopentylpiperazin-1-yl)benzonitrile 4-chloro-2-(4-cyclopentylpiperaz…

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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) 3.69 10.83 -36.72 1 3 1 31 290.818 2 ↓
Hi High (pH 8-9.5) 3.69 8.67 -4.48 0 3 0 30 289.81 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-4-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine [3-chloro-4-(4-cyclopentylpipera…

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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 8.47 -88.7 4 3 2 35 295.858 3 ↓
Hi High (pH 8-9.5) 3.12 6.31 -47.12 3 3 1 34 294.85 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-(4-cyclopentylpiperazin-1-yl)benzonitrile 3-chloro-4-(4-cyclopentylpiperaz…

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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) 3.69 10.84 -41.29 1 3 1 31 290.818 2 ↓
Hi High (pH 8-9.5) 3.69 8.69 -4.05 0 3 0 30 289.81 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-(4-cyclopentylpiperazin-1-yl)benzamidine 3-chloro-4-(4-cyclopentylpiperaz…

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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) 2.32 8.32 -80.46 5 4 2 59 308.857 3 ↓
Hi High (pH 8-9.5) 2.32 6.17 -34.36 4 4 1 58 307.849 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-(4-cyclopentylpiperazin-1-yl)benzenecarbothioamide 3-chloro-4-(4-cyclopentylpiperaz…

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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) 3.74 9.66 -44.86 3 3 1 34 324.901 3 ↓
Hi High (pH 8-9.5) 3.74 7.51 -9.31 2 3 0 32 323.893 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-(4-cyclopentylpiperazin-1-yl)benzoic 3-chloro-4-(4-cyclopentylpiperaz…

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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) 3.85 11 -69.41 1 4 0 48 308.809 3 ↓
Hi High (pH 8-9.5) 3.85 8.84 -44.01 0 4 -1 47 307.801 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(4-cyclopentylpiperazin-1-yl)benzoic 4-amino-2-(4-cyclopentylpiperazi…

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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) 2.43 8.69 -59.14 3 5 0 74 289.379 3 ↓
Hi High (pH 8-9.5) 2.43 6.54 -55.24 2 5 -1 73 288.371 3 ↓
Lo Low (pH 4.5-6) 2.43 6.7 -34.26 4 5 1 71 290.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[4-(4-chlorophenyl)piperazin-1-yl]cyclopentyl]methanamine [1-[4-(4-chlorophenyl)piperazin-…

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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) 2.88 7.5 -130.74 4 3 2 35 295.858 3 ↓
Mid Mid (pH 6-8) 2.88 5.65 -47.57 3 3 1 34 294.85 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentanol (1S,2R)-2-[4-(2-methoxyphenyl)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) 2.19 4.18 -5.46 1 4 0 36 276.38 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentanol (1S,2S)-2-[4-(2-methoxyphenyl)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) 2.19 3.31 -5.67 1 4 0 36 276.38 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentanol (1R,2R)-2-[4-(2-methoxyphenyl)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) 2.19 3.35 -4.92 1 4 0 36 276.38 3 ↓

Analogs

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Popular Name: (1R,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentanol (1R,2S)-2-[4-(2-methoxyphenyl)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) 2.19 4.23 -5.23 1 4 0 36 276.38 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(4-phenylpiperazin-1-yl)cyclopentanol (1S,2R)-2-(4-phenylpiperazin-1-y…

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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) 2.18 4.37 -4.01 1 3 0 27 246.354 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(4-phenylpiperazin-1-yl)cyclopentanol (1S,2S)-2-(4-phenylpiperazin-1-y…

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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) 2.18 3.85 -4.58 1 3 0 27 246.354 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(4-phenylpiperazin-1-yl)cyclopentanol (1R,2R)-2-(4-phenylpiperazin-1-y…

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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) 2.18 3.54 -4.34 1 3 0 27 246.354 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(4-phenylpiperazin-1-yl)cyclopentanol (1R,2S)-2-(4-phenylpiperazin-1-y…

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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) 2.18 4.4 -4.17 1 3 0 27 246.354 2 ↓

Analogs

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Popular Name: (1S,2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]cyclopentanol (1S,2R)-2-[4-(2-fluorophenyl)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) 2.30 4.89 -5.08 1 3 0 27 264.344 2 ↓
Mid Mid (pH 6-8) 2.30 7.04 -28.36 2 3 1 28 265.352 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]cyclopentanol (1S,2S)-2-[4-(2-fluorophenyl)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) 2.30 4.36 -6.24 1 3 0 27 264.344 2 ↓
Mid Mid (pH 6-8) 2.30 6.5 -32.23 2 3 1 28 265.352 2 ↓

Analogs

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Popular Name: (1R,2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]cyclopentanol (1R,2R)-2-[4-(2-fluorophenyl)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) 2.30 4.05 -5.04 1 3 0 27 264.344 2 ↓
Mid Mid (pH 6-8) 2.30 6.41 -32.96 2 3 1 28 265.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]cyclopentanol (1R,2S)-2-[4-(2-fluorophenyl)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) 2.30 4.93 -5.29 1 3 0 27 264.344 2 ↓
Mid Mid (pH 6-8) 2.30 6.91 -28.65 2 3 1 28 265.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopentanol (1S,2R)-2-[4-(4-fluorophenyl)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) 2.35 4.44 -4.42 1 3 0 27 264.344 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopentanol (1S,2S)-2-[4-(4-fluorophenyl)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) 2.35 3.58 -5.09 1 3 0 27 264.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopentanol (1R,2R)-2-[4-(4-fluorophenyl)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) 2.35 3.61 -5.07 1 3 0 27 264.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopentanol (1R,2S)-2-[4-(4-fluorophenyl)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) 2.35 4.47 -4.69 1 3 0 27 264.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentanol (1S,2R)-2-[4-(2-chlorophenyl)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) 2.81 5.51 -3.62 1 3 0 27 280.799 2 ↓
Mid Mid (pH 6-8) 2.81 7.67 -27.85 2 3 1 28 281.807 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentanol (1S,2S)-2-[4-(2-chlorophenyl)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) 2.81 4.98 -4.58 1 3 0 27 280.799 2 ↓
Mid Mid (pH 6-8) 2.81 7.13 -31.81 2 3 1 28 281.807 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentanol (1R,2R)-2-[4-(2-chlorophenyl)pip…

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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) 2.81 4.67 -3.8 1 3 0 27 280.799 2 ↓
Mid Mid (pH 6-8) 2.81 7.04 -32.55 2 3 1 28 281.807 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentanol (1R,2S)-2-[4-(2-chlorophenyl)pip…

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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) 2.81 5.55 -3.84 1 3 0 27 280.799 2 ↓
Mid Mid (pH 6-8) 2.81 7.54 -28.15 2 3 1 28 281.807 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-ol 2-[4-(3-chlorophenyl)piperazin-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) 2.84 4.89 -3.81 1 3 0 27 280.799 2 ↓
Mid Mid (pH 6-8) 2.84 7.05 -34.21 2 3 1 28 281.807 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-ol 2-[4-(3-chlorophenyl)piperazin-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) 2.84 4.02 -4.53 1 3 0 27 280.799 2 ↓
Mid Mid (pH 6-8) 2.84 6.5 -37.62 2 3 1 28 281.807 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-ol 2-[4-(3-chlorophenyl)piperazin-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) 2.84 4.05 -4.58 1 3 0 27 280.799 2 ↓
Mid Mid (pH 6-8) 2.84 6.42 -38.5 2 3 1 28 281.807 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-ol 2-[4-(3-chlorophenyl)piperazin-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) 2.84 4.93 -4.06 1 3 0 27 280.799 2 ↓
Mid Mid (pH 6-8) 2.84 6.93 -34.59 2 3 1 28 281.807 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-(m-tolyl)piperazin-1-yl]cyclopentanol (1S,2R)-2-[4-(m-tolyl)piperazin-…

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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) 2.61 5.05 -4.12 1 3 0 27 260.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-(m-tolyl)piperazin-1-yl]cyclopentanol (1S,2S)-2-[4-(m-tolyl)piperazin-…

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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) 2.61 4.17 -4.48 1 3 0 27 260.381 2 ↓

Parameters Provided:

ring.id = 1813
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 = 1813 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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