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Analogs

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Popular Name: (2R)-3-chloro-2-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (2R)-3-chloro-2-methyl-1-(4-pyra…

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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) 1.02 5.16 -10.56 0 5 0 49 268.748 3 ↓

Analogs

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Popular Name: (2S)-3-chloro-2-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (2S)-3-chloro-2-methyl-1-(4-pyra…

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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) 1.02 5.19 -9.96 0 5 0 49 268.748 3 ↓

Analogs

26145591
26145591
42843342
42843342
42843343
42843343
43631291
43631291
45614493
45614493

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Popular Name: N-isopropyl-4-pyrazin-2-yl-piperazine-1-carboxamide N-isopropyl-4-pyrazin-2-yl-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) 1.22 3.95 -11.99 1 6 0 61 249.318 2 ↓

Analogs

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Popular Name: N-allyl-4-pyrazin-2-yl-piperazine-1-carboxamide N-allyl-4-pyrazin-2-yl-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) 1.20 2.49 -13.31 1 6 0 61 247.302 3 ↓

Analogs

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Popular Name: N-isobutyl-4-pyrazin-2-yl-piperazine-1-carboxamide N-isobutyl-4-pyrazin-2-yl-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) 1.67 4.64 -10.42 1 6 0 61 263.345 3 ↓

Analogs

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Popular Name: N-(1,1-dimethylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide N-(1,1-dimethylpropyl)-2-(4-pyra…

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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) 1.64 3.2 -9.23 1 6 0 61 291.399 5 ↓

Analogs

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Popular Name: 3-(ethylamino)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one 3-(ethylamino)-1-(4-pyrazin-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) -0.25 4.22 -50.53 2 6 1 66 264.353 5 ↓

Analogs

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Popular Name: 2-(ethylamino)-2-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one 2-(ethylamino)-2-methyl-1-(4-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) 0.64 4.25 -43.1 2 6 1 66 278.38 4 ↓
Hi High (pH 8-9.5) 0.64 4.11 -9.05 1 6 0 61 277.372 4 ↓

Analogs

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Popular Name: 2-methyl-2-(methylamino)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one 2-methyl-2-(methylamino)-1-(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) 0.26 3.41 -45.21 2 6 1 66 264.353 3 ↓
Hi High (pH 8-9.5) 0.26 3.29 -8.64 1 6 0 61 263.345 3 ↓

Analogs

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Popular Name: (2S)-2-bromo-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one (2S)-2-bromo-1-(4-pyrazin-2-ylpi…

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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) 1.27 5.4 -9.14 0 5 0 49 313.199 3 ↓

Analogs

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Popular Name: (2R)-2-bromo-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one (2R)-2-bromo-1-(4-pyrazin-2-ylpi…

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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) 1.27 5.41 -9.99 0 5 0 49 313.199 3 ↓

Analogs

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Popular Name: 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone 1-[4-[3-(dimethylamino)pyrazin-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) -0.06 4.71 -11.29 0 6 0 53 249.318 2 ↓

Analogs

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Popular Name: [3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyrazin-2-yl]methanamine [3-[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) 0.98 4.14 -101.27 4 5 2 61 251.378 4 ↓
Hi High (pH 8-9.5) 0.98 3.74 -36.97 3 5 1 59 250.37 4 ↓
Hi High (pH 8-9.5) 0.98 1.98 -4.55 2 5 0 58 249.362 4 ↓

Analogs

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Popular Name: [3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyrazin-2-yl]methanamine [3-[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) 0.98 4.12 -101.19 4 5 2 61 251.378 4 ↓
Hi High (pH 8-9.5) 0.98 3.72 -36.97 3 5 1 59 250.37 4 ↓
Hi High (pH 8-9.5) 0.98 2.03 -4.57 2 5 0 58 249.362 4 ↓

Analogs

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Popular Name: 3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyrazine-2-carboxamidine 3-[4-[(1R)-1-methylpropyl]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) 0.18 4.89 -30.48 4 6 1 83 263.369 4 ↓
Hi High (pH 8-9.5) 0.18 3.11 -5.39 3 6 0 82 262.361 4 ↓
Mid Mid (pH 6-8) 0.18 4.12 -87.68 5 6 2 85 264.377 4 ↓

Analogs

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Popular Name: 3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyrazine-2-carboxamidine 3-[4-[(1S)-1-methylpropyl]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) 0.18 4.97 -41.33 4 6 1 83 263.369 4 ↓
Hi High (pH 8-9.5) 0.18 3.1 -6.77 3 6 0 82 262.361 4 ↓
Mid Mid (pH 6-8) 0.18 4.31 -87.59 5 6 2 85 264.377 4 ↓

Analogs

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Popular Name: [3-(4-isobutylpiperazin-1-yl)pyrazin-2-yl]methanamine [3-(4-isobutylpiperazin-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) 0.89 4.49 -102.84 4 5 2 61 251.378 4 ↓
Hi High (pH 8-9.5) 0.89 4.09 -38.65 3 5 1 59 250.37 4 ↓
Hi High (pH 8-9.5) 0.89 2.35 -4.68 2 5 0 58 249.362 4 ↓

Analogs

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Popular Name: 3-(4-isobutylpiperazin-1-yl)pyrazine-2-carboxamidine 3-(4-isobutylpiperazin-1-yl)pyra…

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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) 0.10 5.22 -32.29 4 6 1 83 263.369 4 ↓
Hi High (pH 8-9.5) 0.10 3.27 -5.58 3 6 0 82 262.361 4 ↓
Mid Mid (pH 6-8) 0.10 4.48 -89.54 5 6 2 85 264.377 4 ↓

Analogs

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Popular Name: 3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyrazine-2-carbonitrile 3-[4-[(1R)-1-methylpropyl]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) 1.55 6.4 -36.56 1 5 1 57 246.338 3 ↓
Hi High (pH 8-9.5) 1.55 4.54 -7.55 0 5 0 56 245.33 3 ↓

Analogs

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Popular Name: 3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyrazine-2-carbonitrile 3-[4-[(1S)-1-methylpropyl]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) 1.55 6.43 -36.55 1 5 1 57 246.338 3 ↓
Hi High (pH 8-9.5) 1.55 4.6 -7.51 0 5 0 56 245.33 3 ↓

Analogs

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Popular Name: 3-(4-isobutylpiperazin-1-yl)pyrazine-2-carbonitrile 3-(4-isobutylpiperazin-1-yl)pyra…

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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 6.76 -38.52 1 5 1 57 246.338 3 ↓
Hi High (pH 8-9.5) 1.47 4.89 -7.64 0 5 0 56 245.33 3 ↓

Analogs

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Popular Name: 3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyrazine-2-carbothioamide 3-[4-[(1R)-1-methylpropyl]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) 1.60 5.3 -30.33 3 5 1 59 280.421 4 ↓
Hi High (pH 8-9.5) 1.60 3.43 -8.67 2 5 0 58 279.413 4 ↓

Analogs

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Popular Name: 3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyrazine-2-carbothioamide 3-[4-[(1S)-1-methylpropyl]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) 1.60 5.3 -30.42 3 5 1 59 280.421 4 ↓
Hi High (pH 8-9.5) 1.60 3.48 -8.63 2 5 0 58 279.413 4 ↓

Analogs

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Popular Name: 3-(4-isobutylpiperazin-1-yl)pyrazine-2-carbothioamide 3-(4-isobutylpiperazin-1-yl)pyra…

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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) 1.51 5.67 -32.12 3 5 1 59 280.421 4 ↓
Hi High (pH 8-9.5) 1.51 3.8 -8.73 2 5 0 58 279.413 4 ↓

Analogs

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Popular Name: 2-chloro-6-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyrazine 2-chloro-6-[4-[(1R)-1-methylprop…

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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) 2.36 6.49 -39.38 1 4 1 33 255.773 3 ↓
Hi High (pH 8-9.5) 2.36 4.7 -4.14 0 4 0 32 254.765 3 ↓

Analogs

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Popular Name: 2-chloro-6-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyrazine 2-chloro-6-[4-[(1S)-1-methylprop…

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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) 2.36 6.49 -39.45 1 4 1 33 255.773 3 ↓
Hi High (pH 8-9.5) 2.36 4.65 -4.17 0 4 0 32 254.765 3 ↓

Analogs

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Popular Name: 2-chloro-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyrazine 2-chloro-3-[4-[(1R)-1-methylprop…

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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) 2.36 6.54 -34.48 1 4 1 33 255.773 3 ↓
Hi High (pH 8-9.5) 2.36 4.77 -5.05 0 4 0 32 254.765 3 ↓

Analogs

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Popular Name: 2-chloro-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyrazine 2-chloro-3-[4-[(1S)-1-methylprop…

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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) 2.36 6.54 -34.57 1 4 1 33 255.773 3 ↓
Hi High (pH 8-9.5) 2.36 4.69 -5.02 0 4 0 32 254.765 3 ↓

Analogs

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Popular Name: 2-chloro-6-(4-isobutylpiperazin-1-yl)pyrazine 2-chloro-6-(4-isobutylpiperazin-…

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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 6.83 -40.72 1 4 1 33 255.773 3 ↓
Hi High (pH 8-9.5) 2.27 4.9 -4.32 0 4 0 32 254.765 3 ↓

Analogs

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Popular Name: 2-chloro-3-(4-isobutylpiperazin-1-yl)pyrazine 2-chloro-3-(4-isobutylpiperazin-…

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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 6.89 -36.34 1 4 1 33 255.773 3 ↓
Hi High (pH 8-9.5) 2.27 4.95 -5.17 0 4 0 32 254.765 3 ↓

Analogs

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Popular Name: 3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyrazine-2-carboxylic 3-[4-[(1R)-1-methylpropyl]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) 1.37 6.98 -54.09 1 6 0 74 264.329 4 ↓
Hi High (pH 8-9.5) 1.37 5.13 -52.19 0 6 -1 72 263.321 4 ↓

Analogs

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Popular Name: 3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyrazine-2-carboxylic 3-[4-[(1S)-1-methylpropyl]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) 1.37 7 -54.02 1 6 0 74 264.329 4 ↓
Hi High (pH 8-9.5) 1.37 5.19 -52.2 0 6 -1 72 263.321 4 ↓

Analogs

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Popular Name: 3-(4-isobutylpiperazin-1-yl)pyrazine-2-carboxylic 3-(4-isobutylpiperazin-1-yl)pyra…

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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) 1.28 7.36 -56.05 1 6 0 74 264.329 4 ↓
Hi High (pH 8-9.5) 1.28 5.53 -52.04 0 6 -1 72 263.321 4 ↓

Analogs

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Popular Name: N-allyl-2-[4-(6-ethylsulfanylpyrazin-2-yl)piperazin-1-yl]acetamide N-allyl-2-[4-(6-ethylsulfanylpyr…

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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) 1.70 3.93 -9.3 1 6 0 61 321.45 7 ↓

Analogs

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Popular Name: N,N-diallyl-2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]acetamide N,N-diallyl-2-[4-(3-cyanopyrazin…

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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) 0.98 5.87 -14.38 0 7 0 76 326.404 7 ↓
Lo Low (pH 4.5-6) 0.98 8.04 -43.79 1 7 1 78 327.412 7 ↓

Analogs

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Popular Name: 3-[4-(cyanomethyl)piperazin-1-yl]pyrazine-2-carbonitrile 3-[4-(cyanomethyl)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) 0.13 2.8 -13.7 0 6 0 80 228.259 2 ↓

Analogs

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Popular Name: Methyl 5-(4-Boc-piperazinyl)-2-pyrazinecarboxylate Methyl 5-(4-Boc-piperazinyl)-2-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) 1.46 5.83 -11.3 0 8 0 85 322.365 5 ↓

Analogs

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Popular Name: 2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine 2-Amino-3-(4-Boc-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) 0.99 4.22 -8.04 2 7 0 85 279.344 3 ↓

Analogs

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Popular Name: 5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid 5-(4-(tert-Butoxycarbonyl)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) 1.20 5.79 -52.34 0 8 -1 99 307.33 4 ↓

Analogs

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Popular Name: 4-amino-4-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one 4-amino-4-methyl-1-(4-pyrazin-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) 0.43 3.28 -49.78 3 6 1 77 278.38 4 ↓

Analogs

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Popular Name: 2-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]acetic 2-[2-oxo-2-(4-pyrazin-2-ylpipera…

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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) -1.10 4.92 -59.21 0 8 -1 99 279.276 5 ↓

Analogs

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Popular Name: 5-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one 5-amino-1-(4-pyrazin-2-ylpiperaz…

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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) -0.48 3.09 -54 3 6 1 77 264.353 5 ↓

Analogs

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Popular Name: 3-[(2S,5S)-2,5-dimethylpiperazin-1-yl]-2,5-dimethyl-pyrazine 3-[(2S,5S)-2,5-dimethylpiperazin…

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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) 1.21 4.75 -43.32 2 4 1 46 221.328 1 ↓
Hi High (pH 8-9.5) 1.21 3.48 -5.13 1 4 0 41 220.32 1 ↓

Analogs

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Popular Name: (4S)-4-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one (4S)-4-amino-1-(4-pyrazin-2-ylpi…

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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) -0.58 3.02 -57.83 3 6 1 77 264.353 4 ↓

Analogs

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Popular Name: (4R)-4-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one (4R)-4-amino-1-(4-pyrazin-2-ylpi…

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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) -0.58 3.02 -58.62 3 6 1 77 264.353 4 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-4-pyrazin-2-yl-piperazine-1-carboxamide N-(2-bromoallyl)-4-pyrazin-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) 1.66 4.3 -10.84 1 6 0 61 326.198 3 ↓

Analogs

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Popular Name: methyl methyl

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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 3.64 -9.3 0 6 0 59 256.693 2 ↓

Analogs

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Popular Name: 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine 2-chloro-6-(4-methylsulfonylpipe…

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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 1.37 -13.95 0 6 0 66 276.749 2 ↓

Analogs

44895560
44895560
44895562
44895562
32901804
32901804
32901805
32901805

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Popular Name: (2S)-2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one (2S)-2-amino-3-methyl-1-(4-pyraz…

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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) -0.34 2.59 -49.09 3 6 1 77 264.353 3 ↓
Hi High (pH 8-9.5) -0.34 2.26 -11.24 2 6 0 75 263.345 3 ↓

Analogs

44895560
44895560
44895562
44895562
32901804
32901804
32901805
32901805

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one (2R)-2-amino-3-methyl-1-(4-pyraz…

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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) -0.34 2.71 -49.25 3 6 1 77 264.353 3 ↓
Hi High (pH 8-9.5) -0.34 2.41 -9.79 2 6 0 75 263.345 3 ↓

Parameters Provided:

ring.id = 80129
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 = 80129 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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