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Analogs

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Popular Name: (S)-pyrazin-2-yl(2-pyridyl)methanol (S)-pyrazin-2-yl(2-pyridyl)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) 0.22 0.28 -7.68 1 4 0 59 187.202 2 ↓

Analogs

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Popular Name: (R)-pyrazin-2-yl(2-pyridyl)methanol (R)-pyrazin-2-yl(2-pyridyl)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) 0.22 0.3 -7.79 1 4 0 59 187.202 2 ↓

Analogs

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Popular Name: (S)-(3-methyl-2-pyridyl)-pyrazin-2-yl-methanol (S)-(3-methyl-2-pyridyl)-pyrazin…

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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) 1.01 0.92 -7.6 1 4 0 59 201.229 2 ↓
Lo Low (pH 4.5-6) 1.01 1.99 -33.05 2 4 1 60 202.237 2 ↓

Analogs

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Popular Name: (R)-(3-methyl-2-pyridyl)-pyrazin-2-yl-methanol (R)-(3-methyl-2-pyridyl)-pyrazin…

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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) 1.01 0.82 -8.55 1 4 0 59 201.229 2 ↓
Lo Low (pH 4.5-6) 1.01 1.4 -32.21 2 4 1 60 202.237 2 ↓

Analogs

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Popular Name: (S)-(6-methyl-2-pyridyl)-pyrazin-2-yl-methanol (S)-(6-methyl-2-pyridyl)-pyrazin…

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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 0.87 -7.81 1 4 0 59 201.229 2 ↓
Lo Low (pH 4.5-6) 0.27 1.44 -30.79 2 4 1 60 202.237 2 ↓

Analogs

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Popular Name: (R)-(6-methyl-2-pyridyl)-pyrazin-2-yl-methanol (R)-(6-methyl-2-pyridyl)-pyrazin…

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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 0.91 -7.96 1 4 0 59 201.229 2 ↓
Lo Low (pH 4.5-6) 0.27 1.28 -31.34 2 4 1 60 202.237 2 ↓

Analogs

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Popular Name: (S)-(4-methyl-2-pyridyl)-pyrazin-2-yl-methanol (S)-(4-methyl-2-pyridyl)-pyrazin…

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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) 1.01 0.94 -7.52 1 4 0 59 201.229 2 ↓
Lo Low (pH 4.5-6) 1.01 1.72 -32.95 2 4 1 60 202.237 2 ↓

Analogs

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Popular Name: (R)-(4-methyl-2-pyridyl)-pyrazin-2-yl-methanol (R)-(4-methyl-2-pyridyl)-pyrazin…

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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) 1.01 0.96 -7.69 1 4 0 59 201.229 2 ↓
Lo Low (pH 4.5-6) 1.01 1.52 -32.17 2 4 1 60 202.237 2 ↓

Analogs

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Popular Name: (S)-pyrazin-2-yl(2-pyridyl)methanamine (S)-pyrazin-2-yl(2-pyridyl)metha…

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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 0.49 -7.65 2 4 0 65 186.218 2 ↓
Mid Mid (pH 6-8) 0.26 0.81 -46.3 3 4 1 66 187.226 2 ↓

Analogs

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Popular Name: (R)-pyrazin-2-yl(2-pyridyl)methanamine (R)-pyrazin-2-yl(2-pyridyl)metha…

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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 0.49 -7.78 2 4 0 65 186.218 2 ↓
Mid Mid (pH 6-8) 0.26 0.85 -47.83 3 4 1 66 187.226 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-pyrazin-2-yl-1-(2-pyridyl)methanamine (1S)-N-methyl-1-pyrazin-2-yl-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) 0.64 1.86 -6.98 1 4 0 51 200.245 3 ↓
Mid Mid (pH 6-8) 0.64 3.09 -35.21 2 4 1 55 201.253 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-pyrazin-2-yl-1-(2-pyridyl)methanamine (1R)-N-methyl-1-pyrazin-2-yl-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) 0.64 1.88 -6.89 1 4 0 51 200.245 3 ↓
Mid Mid (pH 6-8) 0.64 3.09 -35.2 2 4 1 55 201.253 3 ↓

Analogs

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Popular Name: N-[(S)-pyrazin-2-yl(2-pyridyl)methyl]ethanamine N-[(S)-pyrazin-2-yl(2-pyridyl)me…

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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) 1.01 3.93 -33.87 2 4 1 55 215.28 4 ↓
Mid Mid (pH 6-8) 1.01 3.07 -6 1 4 0 51 214.272 4 ↓

Analogs

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Popular Name: N-[(R)-pyrazin-2-yl(2-pyridyl)methyl]ethanamine N-[(R)-pyrazin-2-yl(2-pyridyl)me…

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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) 1.01 3.93 -33.84 2 4 1 55 215.28 4 ↓
Mid Mid (pH 6-8) 1.01 2.26 -8.19 1 4 0 51 214.272 4 ↓

Analogs

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Popular Name: (S)-(3-methyl-2-pyridyl)-pyrazin-2-yl-methanamine (S)-(3-methyl-2-pyridyl)-pyrazin…

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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 1.42 -43.48 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 1.05 1.17 -6.68 2 4 0 65 200.245 2 ↓

Analogs

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Popular Name: (R)-(3-methyl-2-pyridyl)-pyrazin-2-yl-methanamine (R)-(3-methyl-2-pyridyl)-pyrazin…

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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 1.38 -41.25 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 1.05 1.04 -8 2 4 0 65 200.245 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(3-methyl-2-pyridyl)-1-pyrazin-2-yl-methanamine (1S)-N-methyl-1-(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) 1.42 3.15 -34.85 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 1.42 1.71 -7.53 1 4 0 51 214.272 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(3-methyl-2-pyridyl)-1-pyrazin-2-yl-methanamine (1R)-N-methyl-1-(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) 1.42 3.39 -35.26 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 1.42 2.82 -7.58 1 4 0 51 214.272 3 ↓

Analogs

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Popular Name: (S)-(6-methyl-2-pyridyl)-pyrazin-2-yl-methanamine (S)-(6-methyl-2-pyridyl)-pyrazin…

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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) 0.32 1.41 -46.37 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 0.32 1.09 -7.82 2 4 0 65 200.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(6-methyl-2-pyridyl)-pyrazin-2-yl-methanamine (R)-(6-methyl-2-pyridyl)-pyrazin…

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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) 0.32 1.45 -47.94 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 0.32 1.1 -8 2 4 0 65 200.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(6-methyl-2-pyridyl)-1-pyrazin-2-yl-methanamine (1S)-N-methyl-1-(6-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) 0.69 3.68 -35.23 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 0.69 1.67 -7.74 1 4 0 51 214.272 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(6-methyl-2-pyridyl)-1-pyrazin-2-yl-methanamine (1R)-N-methyl-1-(6-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) 0.69 3.68 -35.14 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 0.69 1.72 -7.84 1 4 0 51 214.272 3 ↓

Analogs

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Popular Name: (S)-(4-methyl-2-pyridyl)-pyrazin-2-yl-methanamine (S)-(4-methyl-2-pyridyl)-pyrazin…

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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 1.47 -46.14 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 1.05 1.21 -6.98 2 4 0 65 200.245 2 ↓

Analogs

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Popular Name: (R)-(4-methyl-2-pyridyl)-pyrazin-2-yl-methanamine (R)-(4-methyl-2-pyridyl)-pyrazin…

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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 1.51 -47.48 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 1.05 1.23 -7.07 2 4 0 65 200.245 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4-methyl-2-pyridyl)-1-pyrazin-2-yl-methanamine (1S)-N-methyl-1-(4-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) 1.42 3.75 -35.03 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 1.42 1.73 -7.54 1 4 0 51 214.272 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(4-methyl-2-pyridyl)-1-pyrazin-2-yl-methanamine (1R)-N-methyl-1-(4-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) 1.42 3.75 -34.98 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 1.42 1.79 -7.61 1 4 0 51 214.272 3 ↓

Analogs

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Popular Name: N-[(S)-pyrazin-2-yl(2-pyridyl)methyl]propan-1-amine N-[(S)-pyrazin-2-yl(2-pyridyl)me…

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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 4.69 -34.23 2 4 1 55 229.307 5 ↓
Mid Mid (pH 6-8) 1.51 3.34 -8.16 1 4 0 51 228.299 5 ↓

Analogs

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Popular Name: N-[(R)-pyrazin-2-yl(2-pyridyl)methyl]propan-1-amine N-[(R)-pyrazin-2-yl(2-pyridyl)me…

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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 4.69 -34.24 2 4 1 55 229.307 5 ↓
Mid Mid (pH 6-8) 1.51 3.4 -7.73 1 4 0 51 228.299 5 ↓

Analogs

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Popular Name: N-[(R)-(3-methyl-2-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(R)-(3-methyl-2-pyridyl)-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) 1.80 4.22 -33.72 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.80 3.74 -7.69 1 4 0 51 228.299 4 ↓

Analogs

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Popular Name: N-[(S)-(3-methyl-2-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(S)-(3-methyl-2-pyridyl)-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) 1.80 4 -33.37 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.80 3.44 -6.44 1 4 0 51 228.299 4 ↓

Analogs

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Popular Name: N-[(R)-(3-methyl-2-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(R)-(3-methyl-2-pyridyl)-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) 2.30 4.82 -34 2 4 1 55 243.334 5 ↓
Mid Mid (pH 6-8) 2.30 3.44 -8.53 1 4 0 51 242.326 5 ↓

Analogs

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Popular Name: N-[(S)-(3-methyl-2-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(S)-(3-methyl-2-pyridyl)-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) 2.30 4.75 -33.69 2 4 1 55 243.334 5 ↓
Mid Mid (pH 6-8) 2.30 4.15 -6.3 1 4 0 51 242.326 5 ↓

Analogs

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Popular Name: N-[(S)-(6-methyl-2-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(S)-(6-methyl-2-pyridyl)-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) 1.07 4.52 -33.83 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.07 3.66 -6.12 1 4 0 51 228.299 4 ↓

Analogs

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Popular Name: N-[(R)-(6-methyl-2-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(R)-(6-methyl-2-pyridyl)-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) 1.07 4.53 -33.77 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.07 2.86 -8.31 1 4 0 51 228.299 4 ↓

Analogs

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Popular Name: N-[(S)-(6-methyl-2-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(S)-(6-methyl-2-pyridyl)-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) 1.57 5.28 -34.11 2 4 1 55 243.334 5 ↓
Mid Mid (pH 6-8) 1.57 3.97 -6.51 1 4 0 51 242.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(6-methyl-2-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(R)-(6-methyl-2-pyridyl)-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) 1.57 5.28 -34.16 2 4 1 55 243.334 5 ↓
Mid Mid (pH 6-8) 1.57 3.72 -7.53 1 4 0 51 242.326 5 ↓

Analogs

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Popular Name: N-[(S)-(4-methyl-2-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(S)-(4-methyl-2-pyridyl)-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) 1.80 4.59 -33.62 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.80 3.74 -6.01 1 4 0 51 228.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-methyl-2-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(R)-(4-methyl-2-pyridyl)-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) 1.80 4.59 -33.59 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.80 2.92 -8.07 1 4 0 51 228.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-methyl-2-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(S)-(4-methyl-2-pyridyl)-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) 2.30 5.34 -33.94 2 4 1 55 243.334 5 ↓
Mid Mid (pH 6-8) 2.30 4.04 -6.35 1 4 0 51 242.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-methyl-2-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(R)-(4-methyl-2-pyridyl)-pyra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 5.34 -33.92 2 4 1 55 243.334 5 ↓
Mid Mid (pH 6-8) 2.30 3.78 -7.31 1 4 0 51 242.326 5 ↓

Parameters Provided:

ring.id = 264431
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 = 264431 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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