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Analogs

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Popular Name: 2-[(3-methoxypropylamino)methyl]-4-pyrazin-2-yl-phenol 2-[(3-methoxypropylamino)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) 1.63 -3.41 -46.06 3 5 1 72 274.344 7 ↓

Analogs

39565238
39565238
34596014
34596014

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Popular Name: [4-(2-pyrazinyl)phenyl]methanol [4-(2-pyrazinyl)phenyl]methanol

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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) 1.24 1.84 -8.45 1 3 0 46 186.214 2 ↓

Analogs

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Popular Name: 2-fluoro-5-pyrazin-2-yl-benzoic 2-fluoro-5-pyrazin-2-yl-benzoic

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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 5.1 -57.89 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 3-fluoro-4-pyrazin-2-yl-benzoic 3-fluoro-4-pyrazin-2-yl-benzoic

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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 5.33 -48.93 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 2-pyrazin-2-ylbenzoic 2-pyrazin-2-ylbenzoic

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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) 1.43 4.81 -53.22 0 4 -1 66 199.189 2 ↓

Analogs

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Popular Name: 2-fluoro-4-pyrazin-2-yl-benzoic 2-fluoro-4-pyrazin-2-yl-benzoic

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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 5.09 -51.51 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 5-fluoro-2-pyrazin-2-yl-benzoic 5-fluoro-2-pyrazin-2-yl-benzoic

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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 5.64 -57.44 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 4-fluoro-2-pyrazin-2-yl-benzoic 4-fluoro-2-pyrazin-2-yl-benzoic

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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 4.88 -46.76 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 2-chloro-5-pyrazin-2-yl-benzoic 2-chloro-5-pyrazin-2-yl-benzoic

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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) 2.08 5.47 -54.07 0 4 -1 66 233.634 2 ↓

Analogs

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Popular Name: 3-pyrazin-2-ylaniline 3-pyrazin-2-ylaniline

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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) 0.96 2.38 -6.98 2 3 0 52 171.203 1 ↓

Analogs

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Popular Name: 4-methyl-2-pyrazin-2-yl-aniline 4-methyl-2-pyrazin-2-yl-aniline

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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) 1.76 3.45 -5.76 2 3 0 52 185.23 1 ↓

Analogs

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Popular Name: (2-pyrazin-2-ylphenyl)methanamine (2-pyrazin-2-ylphenyl)methanamine

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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 3.49 -39.93 3 3 1 53 186.238 2 ↓
Hi High (pH 8-9.5) 1.04 2.94 -6.02 2 3 0 52 185.23 2 ↓

Analogs

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Popular Name: N-methyl-1-(4-pyrazin-2-ylphenyl)methanamine N-methyl-1-(4-pyrazin-2-ylphenyl…

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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 4.42 -45.02 2 3 1 42 200.265 3 ↓
Hi High (pH 8-9.5) 1.46 2.98 -6.06 1 3 0 38 199.257 3 ↓

Analogs

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Popular Name: (1S)-1-(3-pyrazin-2-ylphenyl)ethanamine (1S)-1-(3-pyrazin-2-ylphenyl)eth…

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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 3.28 -47.57 3 3 1 53 200.265 2 ↓
Hi High (pH 8-9.5) -0.26 2.97 -6.07 2 3 0 52 199.257 2 ↓

Analogs

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Popular Name: (1R)-1-(3-pyrazin-2-ylphenyl)ethanamine (1R)-1-(3-pyrazin-2-ylphenyl)eth…

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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 3.27 -47.47 3 3 1 53 200.265 2 ↓
Hi High (pH 8-9.5) -0.26 2.94 -6.93 2 3 0 52 199.257 2 ↓

Analogs

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Popular Name: 2-pyrazin-2-ylaniline 2-pyrazin-2-ylaniline

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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) 1.34 2.78 -5.8 2 3 0 52 171.203 1 ↓

Analogs

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Popular Name: (2-fluoro-5-pyrazin-2-yl-phenyl)methanamine (2-fluoro-5-pyrazin-2-yl-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) 1.18 2.59 -44.03 3 3 1 53 204.228 2 ↓
Hi High (pH 8-9.5) 1.18 2.16 -6.94 2 3 0 52 203.22 2 ↓

Analogs

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Popular Name: 2-chloro-5-pyrazin-2-yl-aniline 2-chloro-5-pyrazin-2-yl-aniline

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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) 1.99 2.98 -6.17 2 3 0 52 205.648 1 ↓

Analogs

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Popular Name: 2-methyl-5-(pyrazin-2-yl)aniline 2-methyl-5-(pyrazin-2-yl)aniline

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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) 1.76 3.15 -7.01 2 3 0 52 185.23 1 ↓

Analogs

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Popular Name: 2-methyl-4-pyrazin-2-yl-aniline 2-methyl-4-pyrazin-2-yl-aniline

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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) 1.76 3.16 -7.17 2 3 0 52 185.23 1 ↓

Analogs

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Popular Name: 4-pyrazin-2-ylaniline 4-pyrazin-2-ylaniline

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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 2.39 -7 2 3 0 52 171.203 1 ↓

Analogs

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Popular Name: (3-pyrazin-2-ylphenyl)methanamine (3-pyrazin-2-ylphenyl)methanamine

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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 2.54 -47.36 3 3 1 53 186.238 2 ↓
Hi High (pH 8-9.5) 1.06 2.14 -6.48 2 3 0 52 185.23 2 ↓

Analogs

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Popular Name: 2-methoxy-5-pyrazin-2-yl-aniline 2-methoxy-5-pyrazin-2-yl-aniline

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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 1.81 -7.57 2 4 0 61 201.229 2 ↓

Analogs

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Popular Name: 4-methyl-3-pyrazin-2-yl-aniline 4-methyl-3-pyrazin-2-yl-aniline

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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) 1.36 3.15 -6.43 2 3 0 52 185.23 1 ↓

Analogs

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Popular Name: 4-fluoro-2-pyrazin-2-yl-aniline 4-fluoro-2-pyrazin-2-yl-aniline

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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) 1.48 2.85 -6.17 2 3 0 52 189.193 1 ↓

Analogs

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Popular Name: 2-fluoro-4-pyrazin-2-yl-aniline 2-fluoro-4-pyrazin-2-yl-aniline

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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) 1.48 2.49 -6.56 2 3 0 52 189.193 1 ↓

Analogs

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Popular Name: 3-methyl-4-pyrazin-2-yl-aniline 3-methyl-4-pyrazin-2-yl-aniline

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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) 1.36 3.15 -6.42 2 3 0 52 185.23 1 ↓

Analogs

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Popular Name: (4-pyrazin-2-ylphenyl)methanamine (4-pyrazin-2-ylphenyl)methanamine

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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 2.55 -50.56 3 3 1 53 186.238 2 ↓
Hi High (pH 8-9.5) 1.09 2.15 -6.78 2 3 0 52 185.23 2 ↓

Analogs

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Popular Name: 2-fluoro-5-pyrazin-2-yl-benzaldehyde 2-fluoro-5-pyrazin-2-yl-benzalde…

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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) 1.79 4.31 -11.19 0 3 0 43 202.188 2 ↓

Analogs

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Popular Name: 1-(3-pyrazin-2-ylphenyl)propan-1-one 1-(3-pyrazin-2-ylphenyl)propan-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) 2.28 5.78 -13.5 0 3 0 43 212.252 3 ↓

Analogs

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Popular Name: 1-(3-pyrazin-2-ylphenyl)ethanone 1-(3-pyrazin-2-ylphenyl)ethanone

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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 4.92 -13.58 0 3 0 43 198.225 2 ↓

Analogs

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Popular Name: 2-pyrazin-2-ylbenzaldehyde 2-pyrazin-2-ylbenzaldehyde

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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) 1.65 4.44 -8.84 0 3 0 43 184.198 2 ↓

Analogs

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Popular Name: 1-(2-pyrazin-2-ylphenyl)ethanone 1-(2-pyrazin-2-ylphenyl)ethanone

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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) 1.75 5.66 -10.28 0 3 0 43 198.225 2 ↓

Analogs

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Popular Name: 1-(4-pyrazin-2-ylphenyl)ethanone 1-(4-pyrazin-2-ylphenyl)ethanone

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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 4.99 -9.62 0 3 0 43 198.225 2 ↓

Analogs

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Popular Name: 1-(4-pyrazin-2-ylphenyl)propan-1-one 1-(4-pyrazin-2-ylphenyl)propan-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 5.78 -9.37 0 3 0 43 212.252 3 ↓

Analogs

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Popular Name: 2-fluoro-4-pyrazin-2-yl-benzaldehyde 2-fluoro-4-pyrazin-2-yl-benzalde…

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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) 1.79 4.31 -12.05 0 3 0 43 202.188 2 ↓

Analogs

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Popular Name: 4-fluoro-3-pyrazin-2-yl-benzaldehyde 4-fluoro-3-pyrazin-2-yl-benzalde…

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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) 1.79 4.5 -11.72 0 3 0 43 202.188 2 ↓

Analogs

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Popular Name: 2-methoxy-5-pyrazin-2-yl-benzaldehyde 2-methoxy-5-pyrazin-2-yl-benzald…

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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) 1.68 3.62 -12.07 0 4 0 52 214.224 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4-pyrazin-2-ylphenyl)ethanamine (1S)-N-methyl-1-(4-pyrazin-2-ylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 5.05 -43.3 2 3 1 42 214.292 3 ↓
Hi High (pH 8-9.5) 2.02 3.87 -5.85 1 3 0 38 213.284 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(4-pyrazin-2-ylphenyl)ethanamine (1R)-N-methyl-1-(4-pyrazin-2-ylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 5.05 -43.32 2 3 1 42 214.292 3 ↓
Hi High (pH 8-9.5) 2.02 3.87 -6.35 1 3 0 38 213.284 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(2-pyrazin-2-ylphenyl)ethanamine (1S)-N-methyl-1-(2-pyrazin-2-ylp…

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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 5.93 -38.69 2 3 1 42 214.292 3 ↓
Hi High (pH 8-9.5) 1.97 4.71 -5.76 1 3 0 38 213.284 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(2-pyrazin-2-ylphenyl)ethanamine (1R)-N-methyl-1-(2-pyrazin-2-ylp…

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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 5.86 -38.75 2 3 1 42 214.292 3 ↓
Hi High (pH 8-9.5) 1.97 4.84 -5.7 1 3 0 38 213.284 3 ↓

Analogs

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Popular Name: (1S)-1-(2-pyrazin-2-ylphenyl)ethanamine (1S)-1-(2-pyrazin-2-ylphenyl)eth…

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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) -0.28 4.1 -43.77 3 3 1 53 200.265 2 ↓
Hi High (pH 8-9.5) -0.28 3.8 -6.1 2 3 0 52 199.257 2 ↓

Analogs

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Popular Name: (1R)-1-(2-pyrazin-2-ylphenyl)ethanamine (1R)-1-(2-pyrazin-2-ylphenyl)eth…

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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) -0.28 4.04 -43.83 3 3 1 53 200.265 2 ↓
Hi High (pH 8-9.5) -0.28 3.72 -5.74 2 3 0 52 199.257 2 ↓

Analogs

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Popular Name: (2-fluoro-4-pyrazin-2-yl-phenyl)methanamine (2-fluoro-4-pyrazin-2-yl-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) 1.18 2.58 -47.19 3 3 1 53 204.228 2 ↓
Hi High (pH 8-9.5) 1.18 2.18 -6.13 2 3 0 52 203.22 2 ↓

Analogs

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Popular Name: (1S)-1-(3-pyrazin-2-ylphenyl)propan-1-amine (1S)-1-(3-pyrazin-2-ylphenyl)pro…

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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 4.1 -47.08 3 3 1 53 214.292 3 ↓
Hi High (pH 8-9.5) 0.25 3.74 -6.79 2 3 0 52 213.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-pyrazin-2-ylphenyl)propan-1-amine (1R)-1-(3-pyrazin-2-ylphenyl)pro…

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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 4.09 -47.04 3 3 1 53 214.292 3 ↓
Hi High (pH 8-9.5) 0.25 3.78 -6.27 2 3 0 52 213.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluoro-3-pyrazin-2-yl-phenyl)methanamine (4-fluoro-3-pyrazin-2-yl-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) 1.18 2.79 -58.39 3 3 1 53 204.228 2 ↓
Hi High (pH 8-9.5) 1.18 2.39 -8.46 2 3 0 52 203.22 2 ↓

Analogs

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Popular Name: 1-(2-fluoro-5-pyrazin-2-yl-phenyl)-N-methyl-methanamine 1-(2-fluoro-5-pyrazin-2-yl-pheny…

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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 4.46 -38.86 2 3 1 42 218.255 3 ↓
Hi High (pH 8-9.5) 1.55 3.02 -6.45 1 3 0 38 217.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-pyrazin-2-ylphenyl)propan-1-amine (1S)-1-(4-pyrazin-2-ylphenyl)pro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.27 4.1 -48.16 3 3 1 53 214.292 3 ↓
Hi High (pH 8-9.5) 0.27 3.74 -6.47 2 3 0 52 213.284 3 ↓

Parameters Provided:

ring.id = 71563
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 = 71563 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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