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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-(3-amino-4-pyridyl)piperazin-1-yl]pentan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…

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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) 1.54 5.51 -38.51 3 5 1 64 263.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]propan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…

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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) 0.47 3.96 -38.53 3 5 1 64 235.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-2,2-dimethyl-propan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…

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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) 1.30 4.54 -38.97 3 5 1 64 263.365 2 ↓

Analogs

37864581
37864581

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Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]hexan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…

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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) 2.04 6.29 -38.47 3 5 1 64 277.392 5 ↓

Analogs

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Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-2-ethoxy-ethanone 1-[4-(3-amino-4-pyridyl)piperazi…

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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) -0.05 4.31 -41.93 3 6 1 73 265.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-2-methyl-pentan-1-one (2R)-1-[4-(3-amino-4-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) 1.78 5.85 -38.53 3 5 1 64 277.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-2-methyl-pentan-1-one (2S)-1-[4-(3-amino-4-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) 1.78 5.82 -38.31 3 5 1 64 277.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-4-methyl-pentan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…

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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) 1.52 6.02 -38.53 3 5 1 64 277.392 4 ↓

Analogs

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Popular Name: TERT-BUTYL 4-(3-AMINOPYRIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE TERT-BUTYL 4-(3-AMINOPYRIDIN-4-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) 1.31 5.04 -36.08 3 6 1 73 279.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-2-ethyl-butan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 5.73 -38.08 3 5 1 64 277.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…

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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 5.85 -36.77 3 5 1 64 277.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-2-methyl-butan-1-one (2R)-1-[4-(3-amino-4-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) 1.22 5.08 -38.46 3 5 1 64 263.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-2-methyl-butan-1-one (2S)-1-[4-(3-amino-4-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) 1.22 5.07 -38.26 3 5 1 64 263.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-3,3,3-trifluoro-propan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…

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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) 0.79 4.31 -42.61 3 5 1 64 289.281 3 ↓
Hi High (pH 8-9.5) 0.79 3.86 -12.42 2 5 0 62 288.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-3-methyl-butan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…

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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) 1.25 5.32 -37.78 3 5 1 64 263.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-amino-4-pyridyl)-N,N-dimethyl-piperazine-1-sulfonamide 4-(3-amino-4-pyridyl)-N,N-dimeth…

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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) -0.35 1.16 -39.64 3 7 1 84 286.381 3 ↓
Hi High (pH 8-9.5) -0.35 0.71 -9.98 2 7 0 83 285.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-amino-4-pyridyl)-N,N-diethyl-piperazine-1-sulfonamide 4-(3-amino-4-pyridyl)-N,N-diethy…

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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) 0.40 2.69 -39.82 3 7 1 84 314.435 5 ↓
Hi High (pH 8-9.5) 0.40 2.23 -9.78 2 7 0 83 313.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(difluoromethylsulfonyl)piperazin-1-yl]pyridin-3-amine 4-[4-(difluoromethylsulfonyl)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) 0.20 1.11 -40.8 3 6 1 81 293.319 3 ↓

Analogs

42807664
42807664

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Popular Name: 4-(4-butylsulfonylpiperazin-1-yl)pyridin-3-amine 4-(4-butylsulfonylpiperazin-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) 1.08 3.23 -40.31 3 6 1 81 299.42 5 ↓

Analogs

42807664
42807664

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Popular Name: 4-(4-propylsulfonylpiperazin-1-yl)pyridin-3-amine 4-(4-propylsulfonylpiperazin-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) 0.53 2.45 -40.14 3 6 1 81 285.393 4 ↓

Analogs

42807664
42807664

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Popular Name: 4-(4-methylsulfonylpiperazin-1-yl)pyridin-3-amine 4-(4-methylsulfonylpiperazin-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) -0.35 0.76 -40.13 3 6 1 81 257.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-1-[4-(3-nitro-4-pyridyl)piperazin-1-yl]propan-1-one 3-chloro-1-[4-(3-nitro-4-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) 0.94 7.08 -12.49 0 7 0 82 298.73 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-1-[4-(3-nitro-4-pyridyl)piperazin-1-yl]propan-1-one (2S)-2-chloro-1-[4-(3-nitro-4-py…

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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 6.36 -10.95 0 7 0 82 298.73 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-[4-(3-nitro-4-pyridyl)piperazin-1-yl]propan-1-one (2R)-2-chloro-1-[4-(3-nitro-4-py…

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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 6.37 -10.44 0 7 0 82 298.73 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-1-[4-(3-nitro-4-pyridyl)piperazin-1-yl]ethanone 2-chloro-1-[4-(3-nitro-4-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) 0.67 6.32 -15.23 0 7 0 82 284.703 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-amino-4-pyridyl)-N-propyl-piperazine-1-carboxamide 4-(3-amino-4-pyridyl)-N-propyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.35 3.68 -39.13 4 6 1 76 264.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-amino-4-pyridyl)-N-butyl-piperazine-1-carboxamide 4-(3-amino-4-pyridyl)-N-butyl-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) 1.91 4.47 -39.07 4 6 1 76 278.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-amino-4-pyridyl)-N-tert-butyl-piperazine-1-carboxamide 4-(3-amino-4-pyridyl)-N-tert-but…

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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) 1.66 4.13 -37.81 4 6 1 76 278.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-amino-4-pyridyl)-N-isopropyl-piperazine-1-carboxamide 4-(3-amino-4-pyridyl)-N-isopropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 3.76 -38.92 4 6 1 76 264.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 4-(3-aminopyridin-4-yl)piperazine-1-carboxylate methyl 4-(3-aminopyridin-4-yl)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) 0.12 3.03 -37.55 3 6 1 73 237.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isobutyl isobutyl

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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) 1.47 5.4 -37 3 6 1 73 279.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-amino-4-pyridyl)piperazine-1-carboxamide 4-(3-amino-4-pyridyl)piperazine-…

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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 0.54 -39.37 5 6 1 90 222.272 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N,N-dimethyl-acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) -0.82 4.37 -87.41 4 6 2 68 265.361 3 ↓
Mid Mid (pH 6-8) -0.82 2.2 -35.85 3 6 1 67 264.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N-ethyl-acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) 0.26 1.14 -35.3 4 6 1 76 264.353 4 ↓
Mid Mid (pH 6-8) 0.26 3.29 -87.2 5 6 2 77 265.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N-tert-butyl-acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 2.45 -33.92 4 6 1 76 292.407 4 ↓
Mid Mid (pH 6-8) 1.06 4.59 -86.82 5 6 2 77 293.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N,N-diethyl-acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) 0.37 6.29 -87.23 4 6 2 68 293.415 5 ↓
Mid Mid (pH 6-8) 0.37 4.12 -35.13 3 6 1 67 292.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N-isobutyl-acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) 1.00 2.65 -35.04 4 6 1 76 292.407 5 ↓
Mid Mid (pH 6-8) 1.00 4.8 -87.9 5 6 2 77 293.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) -1.00 -1.2 -35.64 5 6 1 90 236.299 3 ↓
Mid Mid (pH 6-8) -1.00 0.95 -87.08 6 6 2 91 237.307 3 ↓

Analogs

43446660
43446660
43447469
43447469

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Popular Name: ethyl ethyl

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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 3.64 -33.87 3 6 1 73 265.337 5 ↓
Mid Mid (pH 6-8) 0.51 5.77 -87.34 4 6 2 74 266.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N-[(1R)-1-methylpropyl]acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) 1.09 2.97 -35.29 4 6 1 76 292.407 5 ↓
Mid Mid (pH 6-8) 1.09 5.12 -87.81 5 6 2 77 293.415 5 ↓

Analogs

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Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N-[(1S)-1-methylpropyl]acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) 1.09 2.97 -35.31 4 6 1 76 292.407 5 ↓
Mid Mid (pH 6-8) 1.09 5.12 -87.72 5 6 2 77 293.415 5 ↓

Analogs

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Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N-isopropyl-acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) 0.55 1.95 -35.07 4 6 1 76 278.38 4 ↓
Mid Mid (pH 6-8) 0.55 4.1 -87.13 5 6 2 77 279.388 4 ↓

Analogs

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Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N-carbamoyl-acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) -0.84 -0.98 -45.76 6 8 1 119 279.324 3 ↓
Mid Mid (pH 6-8) -0.84 1.14 -100.69 7 8 2 120 280.332 3 ↓

Analogs

42461775
42461775

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Popular Name: 4-(4-isopropylpiperazin-1-yl)pyridin-3-amine 4-(4-isopropylpiperazin-1-yl)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) 0.94 5.24 -80.21 4 4 2 48 222.336 2 ↓
Mid Mid (pH 6-8) 0.94 3.09 -29.58 3 4 1 47 221.328 2 ↓

Analogs

42461775
42461775

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Popular Name: 4-[4-(2-diethylaminoethyl)piperazin-1-yl]pyridin-3-amine 4-[4-(2-diethylaminoethyl)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) 1.05 5.17 -72.75 4 5 2 51 279.432 6 ↓
Hi High (pH 8-9.5) 1.05 3 -30.09 3 5 1 50 278.424 6 ↓
Lo Low (pH 4.5-6) 1.05 7.36 -171.84 5 5 3 52 280.44 6 ↓

Analogs

43445833
43445833

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Popular Name: 4-(4-butylpiperazin-1-yl)pyridin-3-amine 4-(4-butylpiperazin-1-yl)pyridin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 6.27 -83.21 4 4 2 48 236.363 4 ↓
Mid Mid (pH 6-8) 1.71 4.05 -29.61 3 4 1 47 235.355 4 ↓

Analogs

42461775
42461775
45689244
45689244

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Popular Name: 4-(4-isobutylpiperazin-1-yl)pyridin-3-amine 4-(4-isobutylpiperazin-1-yl)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) 1.39 6.18 -82.61 4 4 2 48 236.363 3 ↓
Mid Mid (pH 6-8) 1.39 4.25 -29.5 3 4 1 47 235.355 3 ↓

Analogs

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Popular Name: 4-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine 4-[4-(2-methoxyethyl)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) 0.26 3.9 -81.57 4 5 2 57 238.335 4 ↓
Mid Mid (pH 6-8) 0.26 1.6 -31.14 3 5 1 56 237.327 4 ↓

Analogs

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Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]acetonitrile 2-[4-(3-amino-4-pyridyl)piperazi…

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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) 0.06 2.22 -36.6 3 5 1 70 218.284 2 ↓
Lo Low (pH 4.5-6) 0.06 4.44 -97.63 4 5 2 72 219.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-amino-4-pyridyl)piperazin-1-yl]-N-isopropyl-N-methyl-acetamide 2-[4-(3-amino-4-pyridyl)piperazi…

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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) 0.30 5.88 -87.35 4 6 2 68 293.415 4 ↓
Mid Mid (pH 6-8) 0.30 3.71 -35.37 3 6 1 67 292.407 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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