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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-amino-1-[4-(2-pyridyl)piperazin-1-yl]ethyl]benzene-1,3-diol 4-[(1S)-2-amino-1-[4-(2-pyridyl)…

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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) 0.86 -0.61 -98.25 6 6 2 89 316.405 4 ↓
Mid Mid (pH 6-8) 0.86 -0.9 -53.02 5 6 1 87 315.397 4 ↓

Analogs

32087383
32087383
32087385
32087385
32088620
32088620
32088624
32088624

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-amino-1-[4-(2-pyridyl)piperazin-1-yl]ethyl]benzene-1,3-diol 4-[(1R)-2-amino-1-[4-(2-pyridyl)…

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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) 0.86 -0.58 -97.76 6 6 2 89 316.405 4 ↓
Mid Mid (pH 6-8) 0.86 -0.87 -54.27 5 6 1 87 315.397 4 ↓

Analogs

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Popular Name: 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-amine 6-[4-[(4-chlorophenyl)methyl]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) 2.76 6.25 -28.75 3 4 1 47 303.817 3 ↓
Mid Mid (pH 6-8) 2.76 8.51 -96.97 4 4 2 48 304.825 3 ↓
Mid Mid (pH 6-8) 2.76 8.19 -42.63 3 4 1 47 303.817 3 ↓

Analogs

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Popular Name: 6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]pyridin-3-amine 6-[4-[(3-bromophenyl)methyl]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) 2.87 6.36 -27.62 3 4 1 47 348.268 3 ↓
Mid Mid (pH 6-8) 2.87 8.61 -95.11 4 4 2 48 349.276 3 ↓
Mid Mid (pH 6-8) 2.87 8.29 -41.11 3 4 1 47 348.268 3 ↓

Analogs

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Popular Name: 6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-3-amine 6-[4-[(4-bromophenyl)methyl]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) 2.89 6.36 -28.68 3 4 1 47 348.268 3 ↓
Mid Mid (pH 6-8) 2.89 8.61 -97.29 4 4 2 48 349.276 3 ↓
Mid Mid (pH 6-8) 2.89 8.29 -42.74 3 4 1 47 348.268 3 ↓

Analogs

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Popular Name: 6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-amine 6-[4-[(2-chlorophenyl)methyl]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) 2.71 6.2 -27.49 3 4 1 47 303.817 3 ↓
Mid Mid (pH 6-8) 2.71 8.47 -88.04 4 4 2 48 304.825 3 ↓
Mid Mid (pH 6-8) 2.71 8.15 -34.7 3 4 1 47 303.817 3 ↓

Analogs

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Popular Name: 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridin-3-amine 6-[4-[(2-bromophenyl)methyl]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) 2.85 6.28 -27.45 3 4 1 47 348.268 3 ↓
Mid Mid (pH 6-8) 2.85 8.57 -87.74 4 4 2 48 349.276 3 ↓
Mid Mid (pH 6-8) 2.85 8.25 -34.34 3 4 1 47 348.268 3 ↓

Analogs

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Popular Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-amine 6-[4-[(3-chlorophenyl)methyl]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) 2.74 6.25 -27.7 3 4 1 47 303.817 3 ↓
Mid Mid (pH 6-8) 2.74 8.51 -94.94 4 4 2 48 304.825 3 ↓
Mid Mid (pH 6-8) 2.74 8.19 -41.02 3 4 1 47 303.817 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-amine 2-[4-[(4-chlorophenyl)methyl]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) 2.54 6.61 -29.2 3 4 1 47 303.817 3 ↓
Mid Mid (pH 6-8) 2.54 8.82 -96.36 4 4 2 48 304.825 3 ↓
Mid Mid (pH 6-8) 2.54 8.36 -41.26 3 4 1 47 303.817 3 ↓

Analogs

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Popular Name: 2-[4-(o-tolylmethyl)piperazin-1-yl]pyridin-3-amine 2-[4-(o-tolylmethyl)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) 2.27 7.1 -28.07 3 4 1 47 283.399 3 ↓
Mid Mid (pH 6-8) 2.27 8.98 -90.7 4 4 2 48 284.407 3 ↓
Mid Mid (pH 6-8) 2.27 8.52 -36.01 3 4 1 47 283.399 3 ↓

Analogs

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Popular Name: 2-[4-(m-tolylmethyl)piperazin-1-yl]pyridin-3-amine 2-[4-(m-tolylmethyl)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) 2.29 6.76 -28.05 3 4 1 47 283.399 3 ↓
Mid Mid (pH 6-8) 2.29 8.97 -90.89 4 4 2 48 284.407 3 ↓
Mid Mid (pH 6-8) 2.29 8.51 -36.77 3 4 1 47 283.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(p-tolylmethyl)piperazin-1-yl]pyridin-3-amine 2-[4-(p-tolylmethyl)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) 2.31 6.77 -28 3 4 1 47 283.399 3 ↓
Mid Mid (pH 6-8) 2.31 8.98 -90.7 4 4 2 48 284.407 3 ↓
Mid Mid (pH 6-8) 2.31 8.52 -36.69 3 4 1 47 283.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]pyridin-3-amine 2-[4-[(3-bromophenyl)methyl]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) 2.65 6.7 -28.31 3 4 1 47 348.268 3 ↓
Mid Mid (pH 6-8) 2.65 8.93 -93.82 4 4 2 48 349.276 3 ↓
Mid Mid (pH 6-8) 2.65 8.47 -40.4 3 4 1 47 348.268 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-3-amine 2-[4-[(4-bromophenyl)methyl]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) 2.68 6.71 -29.18 3 4 1 47 348.268 3 ↓
Mid Mid (pH 6-8) 2.68 8.93 -96.66 4 4 2 48 349.276 3 ↓
Mid Mid (pH 6-8) 2.68 8.46 -41.43 3 4 1 47 348.268 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-amine 2-[4-[(2-chlorophenyl)methyl]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) 2.50 6.55 -28.38 3 4 1 47 303.817 3 ↓
Mid Mid (pH 6-8) 2.50 8.79 -87.76 4 4 2 48 304.825 3 ↓
Mid Mid (pH 6-8) 2.50 8.33 -32.65 3 4 1 47 303.817 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridin-3-amine 2-[4-[(2-bromophenyl)methyl]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) 2.63 6.63 -28.25 3 4 1 47 348.268 3 ↓
Mid Mid (pH 6-8) 2.63 8.89 -87.47 4 4 2 48 349.276 3 ↓
Mid Mid (pH 6-8) 2.63 8.43 -32.2 3 4 1 47 348.268 3 ↓

Analogs

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Popular Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridin-3-amine 2-[4-[(2-fluorophenyl)methyl]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) 1.98 6.15 -29.41 3 4 1 47 287.362 3 ↓
Mid Mid (pH 6-8) 1.98 8.38 -88.74 4 4 2 48 288.37 3 ↓
Mid Mid (pH 6-8) 1.98 7.91 -33.89 3 4 1 47 287.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-amine 2-[4-[(3-chlorophenyl)methyl]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) 2.52 6.6 -28.32 3 4 1 47 303.817 3 ↓
Mid Mid (pH 6-8) 2.52 8.83 -93.77 4 4 2 48 304.825 3 ↓
Mid Mid (pH 6-8) 2.52 8.36 -40.3 3 4 1 47 303.817 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenyl-acetam (2S)-2-[4-[3-chloro-5-(trifluoro…

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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) 3.25 8.59 -17.04 2 7 0 78 469.895 6 ↓
Mid Mid (pH 6-8) 3.25 9.1 -110.94 4 7 2 80 471.911 6 ↓

Analogs

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Popular Name: (2R)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenyl-acetam (2R)-2-[4-[3-chloro-5-(trifluoro…

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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) 3.25 8.66 -17 2 7 0 78 469.895 6 ↓
Mid Mid (pH 6-8) 3.25 9.76 -105.44 4 7 2 80 471.911 6 ↓

Analogs

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Popular Name: 2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide 2-[4-[[3-(trifluoromethyl)phenyl…

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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) 2.07 7.3 -43.81 3 5 1 64 365.379 5 ↓
Mid Mid (pH 6-8) 2.07 4.98 -14.36 2 5 0 62 364.371 5 ↓

Analogs

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Popular Name: 4-chloro-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]aniline 4-chloro-3-[[4-(2-pyridyl)pipera…

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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) 2.11 6.29 -29.16 3 4 1 47 303.817 3 ↓
Hi High (pH 8-9.5) 2.11 6.03 -6.05 2 4 0 45 302.809 3 ↓
Mid Mid (pH 6-8) 2.11 8.47 -88.38 4 4 2 48 304.825 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenol 3-[[4-(2-pyridyl)piperazin-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) 1.93 3.79 -34.88 2 4 1 41 270.356 3 ↓
Mid Mid (pH 6-8) 1.93 5.82 -44.04 2 4 1 41 270.356 3 ↓
Mid Mid (pH 6-8) 1.93 3.5 -9.29 1 4 0 40 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,4-difluorophenyl)methyl]-4-(2-pyridyl)piperazine 1-[(3,4-difluorophenyl)methyl]-4…

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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) 2.69 6.79 -34.88 1 3 1 21 290.337 3 ↓
Mid Mid (pH 6-8) 2.69 8.81 -48.71 1 3 1 21 290.337 3 ↓
Mid Mid (pH 6-8) 2.69 6.5 -7.61 0 3 0 19 289.329 3 ↓

Analogs

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Popular Name: 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic 2-[4-[(4-ethoxyphenyl)methyl]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) 2.39 9.14 -50.27 1 6 0 70 341.411 6 ↓
Mid Mid (pH 6-8) 2.39 10.89 -57.03 1 6 0 70 341.411 6 ↓
Mid Mid (pH 6-8) 2.39 8.67 -52.01 0 6 -1 69 340.403 6 ↓

Analogs

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Popular Name: (2R)-2-methyl-N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]butanamide (2R)-2-methyl-N-[4-[[4-(2-pyridy…

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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 8.91 -34.66 2 5 1 50 353.49 6 ↓
Mid Mid (pH 6-8) 3.23 10.81 -43.83 2 5 1 50 353.49 6 ↓
Mid Mid (pH 6-8) 3.23 11.13 -98.43 3 5 2 51 354.498 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]butanamide (2S)-2-methyl-N-[4-[[4-(2-pyridy…

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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 8.9 -32.26 2 5 1 50 353.49 6 ↓
Mid Mid (pH 6-8) 3.23 8.56 -10.54 1 5 0 48 352.482 6 ↓
Mid Mid (pH 6-8) 3.23 10.78 -43.98 2 5 1 50 353.49 6 ↓

Analogs

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Popular Name: (2S)-2-methylsulfanyl-N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]propanamide (2S)-2-methylsulfanyl-N-[4-[[4-(…

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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 8.61 -37.03 2 5 1 50 371.53 6 ↓
Mid Mid (pH 6-8) 2.50 10.83 -101.09 3 5 2 51 372.538 6 ↓
Mid Mid (pH 6-8) 2.50 10.51 -46.39 2 5 1 50 371.53 6 ↓

Analogs

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Popular Name: (2R)-2-methylsulfanyl-N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]propanamide (2R)-2-methylsulfanyl-N-[4-[[4-(…

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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 8.61 -34.05 2 5 1 50 371.53 6 ↓
Mid Mid (pH 6-8) 2.50 10.49 -46.14 2 5 1 50 371.53 6 ↓
Mid Mid (pH 6-8) 2.50 10.83 -97.89 3 5 2 51 372.538 6 ↓

Analogs

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Popular Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide 2-[4-[(2-chloro-4-fluoro-phenyl)…

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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) 1.97 4.98 -10.98 2 5 0 62 348.809 4 ↓
Mid Mid (pH 6-8) 1.97 7.1 -44.41 3 5 1 64 349.817 4 ↓

Analogs

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Popular Name: 6-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile 6-[4-[(3-cyanophenyl)methyl]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) 1.92 8.34 -10.23 0 5 0 67 303.369 3 ↓
Mid Mid (pH 6-8) 1.92 10.55 -56.79 1 5 1 68 304.377 3 ↓

Analogs

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Popular Name: 4-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]benzamide 4-[[4-[5-(trifluoromethyl)-2-pyr…

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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 6.37 -55.34 3 5 1 64 365.379 5 ↓
Mid Mid (pH 6-8) 2.15 4.06 -12.76 2 5 0 62 364.371 5 ↓

Analogs

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Popular Name: N,N-diisopropyl-6-[4-(o-tolylmethyl)piperazin-1-yl]pyridine-3-sulfonamide N,N-diisopropyl-6-[4-(o-tolylmet…

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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) 3.66 9.4 -9.27 0 6 0 57 430.618 7 ↓

Analogs

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Popular Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-(3,5-dichloro-2-pyridyl)piperazine 1-[(2-chloro-6-fluoro-phenyl)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) 4.63 10.13 -31.06 1 3 1 21 375.682 3 ↓
Mid Mid (pH 6-8) 4.63 7.79 -4.04 0 3 0 19 374.674 3 ↓

Analogs

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Popular Name: 6-(4-benzylpiperazin-1-yl)pyridine-3-carbonitrile 6-(4-benzylpiperazin-1-yl)pyridi…

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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 9.07 -44.97 1 4 1 44 279.367 3 ↓
Mid Mid (pH 6-8) 2.19 6.75 -6.71 0 4 0 43 278.359 3 ↓

Analogs

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Popular Name: N,N-diisopropyl-6-[4-(m-tolylmethyl)piperazin-1-yl]pyridine-3-sulfonamide N,N-diisopropyl-6-[4-(m-tolylmet…

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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) 3.68 10.16 -48.21 1 6 1 58 431.626 7 ↓

Analogs

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Popular Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-4-(2-pyridyl)piperazine 1-[(2-methoxy-5-nitro-phenyl)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) 2.37 7.98 -33.29 1 7 1 76 329.38 5 ↓
Mid Mid (pH 6-8) 2.37 7.66 -9.38 0 7 0 74 328.372 5 ↓
Lo Low (pH 4.5-6) 2.37 10.21 -100.84 2 7 2 77 330.388 5 ↓

Analogs

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Popular Name: 2-fluoro-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]aniline 2-fluoro-4-[[4-(2-pyridyl)pipera…

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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) 2.00 5.86 -30.2 3 4 1 47 287.362 3 ↓
Mid Mid (pH 6-8) 2.00 7.77 -41.5 3 4 1 47 287.362 3 ↓
Mid Mid (pH 6-8) 2.00 5.54 -6.47 2 4 0 45 286.354 3 ↓

Analogs

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Popular Name: 1-benzyl-4-(6-bromopyridin-2-yl)piperazine 1-benzyl-4-(6-bromopyridin-2-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) 3.58 8.05 -5.64 0 3 0 19 332.245 3 ↓
Mid Mid (pH 6-8) 3.58 10.28 -40.41 1 3 1 21 333.253 3 ↓

Analogs

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Popular Name: 1-(5-chloro-2-pyridyl)-4-[(4-fluorophenyl)methyl]piperazine 1-(5-chloro-2-pyridyl)-4-[(4-flu…

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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) 3.44 8.11 -5.13 0 3 0 19 305.784 3 ↓
Mid Mid (pH 6-8) 3.44 10.34 -46.33 1 3 1 21 306.792 3 ↓

Analogs

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Popular Name: 2-fluoro-6-[[4-[4-(hydroxymethyl)-2-pyridyl]piperazin-1-yl]methyl]phenol 2-fluoro-6-[[4-[4-(hydroxymethyl…

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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) 1.57 2.65 -32.36 3 5 1 61 318.372 4 ↓
Hi High (pH 8-9.5) 1.57 2.91 -49.61 1 5 -1 63 316.356 4 ↓
Mid Mid (pH 6-8) 1.57 2.33 -9.89 2 5 0 60 317.364 4 ↓

Analogs

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Popular Name: 2-[[4-(6-cyano-2-pyridyl)piperazin-1-yl]methyl]benzoic 2-[[4-(6-cyano-2-pyridyl)piperaz…

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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) 1.78 8.75 -55.27 0 6 -1 83 321.36 4 ↓
Mid Mid (pH 6-8) 1.78 10.68 -44.26 1 6 0 84 322.368 4 ↓

Analogs

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Popular Name: N-[[6-[4-[(4-hydroxy-3-methyl-phenyl)methyl]piperazin-1-yl]-3-pyridyl]methyl]acetamide N-[[6-[4-[(4-hydroxy-3-methyl-ph…

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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 4.76 -39.49 3 6 1 70 355.462 5 ↓
Mid Mid (pH 6-8) 1.72 4.43 -11.12 2 6 0 69 354.454 5 ↓
Lo Low (pH 4.5-6) 1.72 6.97 -109.9 4 6 2 71 356.47 5 ↓

Analogs

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Popular Name: 1-[6-[4-[(2,6-difluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-pyridyl]ethanone 1-[6-[4-[(2,6-difluoro-4-methoxy…

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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) 2.57 9.55 -42.78 1 5 1 47 362.4 5 ↓
Mid Mid (pH 6-8) 2.57 7.25 -9.36 0 5 0 46 361.392 5 ↓

Analogs

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Popular Name: 2-[4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide 2-[4-[(2,4-dimethoxy-3-methyl-ph…

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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 6.72 -35.82 3 7 1 82 371.461 6 ↓
Mid Mid (pH 6-8) 1.62 5.52 -12.51 2 7 0 81 370.453 6 ↓

Analogs

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Popular Name: 2-methoxy-6-[[4-(3-methyl-2-pyridyl)piperazin-1-yl]methyl]phenol 2-methoxy-6-[[4-(3-methyl-2-pyri…

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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 6.15 -29.85 2 5 1 50 314.409 4 ↓
Mid Mid (pH 6-8) 2.38 5.69 -8.99 1 5 0 49 313.401 4 ↓
Mid Mid (pH 6-8) 2.38 7.9 -37.41 2 5 1 50 314.409 4 ↓

Analogs

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Popular Name: 2-nitro-N'-(5-isopropenyl-2-methyl-2-cyclohexen-1-ylidene)benzohydrazide 2-nitro-N'-(5-isopropenyl-2-meth…

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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) 3.10 8.99 -34.34 1 5 1 39 348.854 5 ↓
Mid Mid (pH 6-8) 3.10 6.75 -7.58 0 5 0 38 347.846 5 ↓

Analogs

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Popular Name: N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]-2-ureido-acetamide N-[4-[[4-(2-pyridyl)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) 1.04 2.5 -38.11 5 8 1 105 369.449 6 ↓
Mid Mid (pH 6-8) 1.04 4.41 -49.06 5 8 1 105 369.449 6 ↓
Mid Mid (pH 6-8) 1.04 4.72 -103.66 6 8 2 106 370.457 6 ↓

Analogs

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Popular Name: N-[2-oxo-2-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]anilino]ethyl]butanamide N-[2-oxo-2-[4-[[4-(2-pyridyl)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) 2.52 6.87 -36.75 3 7 1 79 396.515 8 ↓
Mid Mid (pH 6-8) 2.52 8.77 -47.38 3 7 1 79 396.515 8 ↓
Mid Mid (pH 6-8) 2.52 9.09 -102.68 4 7 2 80 397.523 8 ↓

Analogs

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Popular Name: 4-[[4-(3-nitro-2-pyridyl)piperazin-1-yl]methyl]benzonitrile 4-[[4-(3-nitro-2-pyridyl)piperaz…

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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 8.95 -12.54 0 7 0 89 323.356 4 ↓
Mid Mid (pH 6-8) 2.10 11.16 -53.89 1 7 1 90 324.364 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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