UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (S)-(6-methyl-3-pyridyl)-pyrazin-2-yl-methanol (S)-(6-methyl-3-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) 0.21 1.1 -8.27 1 4 0 59 201.229 2 ↓
Lo Low (pH 4.5-6) 0.21 1.53 -33.36 2 4 1 60 202.237 2 ↓

Analogs

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Popular Name: (R)-(6-methyl-3-pyridyl)-pyrazin-2-yl-methanol (R)-(6-methyl-3-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) 0.21 0.92 -8.69 1 4 0 59 201.229 2 ↓
Lo Low (pH 4.5-6) 0.21 1.35 -32.64 2 4 1 60 202.237 2 ↓

Analogs

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Popular Name: (S)-(6-methyl-3-pyridyl)-pyrazin-2-yl-methanamine (S)-(6-methyl-3-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) 0.25 1.52 -52.29 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 0.25 1.21 -8.02 2 4 0 65 200.245 2 ↓
Lo Low (pH 4.5-6) 0.25 1.95 -111.77 4 4 2 68 202.261 2 ↓

Analogs

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Popular Name: (R)-(6-methyl-3-pyridyl)-pyrazin-2-yl-methanamine (R)-(6-methyl-3-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) 0.25 1.42 -48.4 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 0.25 1.07 -7.94 2 4 0 65 200.245 2 ↓
Lo Low (pH 4.5-6) 0.25 1.85 -106.7 4 4 2 68 202.261 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(6-methyl-3-pyridyl)-1-pyrazin-2-yl-methanamine (1S)-N-methyl-1-(6-methyl-3-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) 0.62 3.33 -41.5 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 0.62 1.9 -7.62 1 4 0 51 214.272 3 ↓
Lo Low (pH 4.5-6) 0.62 3.76 -99.7 3 4 2 57 216.288 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(6-methyl-3-pyridyl)-1-pyrazin-2-yl-methanamine (1R)-N-methyl-1-(6-methyl-3-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) 0.62 3.56 -41.86 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 0.62 2 -7.13 1 4 0 51 214.272 3 ↓
Lo Low (pH 4.5-6) 0.62 3.99 -100.38 3 4 2 57 216.288 3 ↓

Analogs

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Popular Name: N-[(S)-(6-methyl-3-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(S)-(6-methyl-3-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) 1.00 4.17 -40.03 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.00 3.39 -6.72 1 4 0 51 228.299 4 ↓
Lo Low (pH 4.5-6) 1.00 4.64 -100.41 3 4 2 57 230.315 4 ↓

Analogs

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Popular Name: N-[(R)-(6-methyl-3-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(R)-(6-methyl-3-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) 1.00 4.41 -40.25 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.00 2.98 -6.82 1 4 0 51 228.299 4 ↓
Lo Low (pH 4.5-6) 1.00 4.84 -100.55 3 4 2 57 230.315 4 ↓

Analogs

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Popular Name: N-[(S)-(6-methyl-3-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(S)-(6-methyl-3-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) 1.50 5.16 -40.81 2 4 1 55 243.334 5 ↓
Mid Mid (pH 6-8) 1.50 4.15 -6.6 1 4 0 51 242.326 5 ↓
Lo Low (pH 4.5-6) 1.50 5.4 -101.75 3 4 2 57 244.342 5 ↓

Analogs

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Popular Name: N-[(R)-(6-methyl-3-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(R)-(6-methyl-3-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) 1.50 5.16 -40.77 2 4 1 55 243.334 5 ↓
Mid Mid (pH 6-8) 1.50 3.74 -6.71 1 4 0 51 242.326 5 ↓
Lo Low (pH 4.5-6) 1.50 5.59 -102.09 3 4 2 57 244.342 5 ↓

Analogs

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Popular Name: (S)-(2-amino-3-pyridyl)-pyrazin-2-yl-methanol (S)-(2-amino-3-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) -0.08 -0.38 -8.15 3 5 0 85 202.217 2 ↓
Mid Mid (pH 6-8) -0.08 0.09 -33.3 4 5 1 86 203.225 2 ↓

Analogs

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Popular Name: (R)-(2-amino-3-pyridyl)-pyrazin-2-yl-methanol (R)-(2-amino-3-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) -0.08 -0.82 -8.58 3 5 0 85 202.217 2 ↓
Mid Mid (pH 6-8) -0.08 -0.35 -34.07 4 5 1 86 203.225 2 ↓

Analogs

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Popular Name: (S)-(4-amino-3-pyridyl)-pyrazin-2-yl-methanol (S)-(4-amino-3-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) -0.44 -0.84 -34.32 4 5 1 86 203.225 2 ↓
Hi High (pH 8-9.5) -0.44 -1.29 -8.2 3 5 0 85 202.217 2 ↓

Analogs

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Popular Name: (R)-(4-amino-3-pyridyl)-pyrazin-2-yl-methanol (R)-(4-amino-3-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) -0.44 -1.26 -34.09 4 5 1 86 203.225 2 ↓
Hi High (pH 8-9.5) -0.44 -1.72 -8.97 3 5 0 85 202.217 2 ↓

Analogs

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Popular Name: 3-[(S)-amino(pyrazin-2-yl)methyl]pyridin-2-amine 3-[(S)-amino(pyrazin-2-yl)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) -0.03 -0.29 -7.63 4 5 0 91 201.233 2 ↓
Mid Mid (pH 6-8) -0.03 0.18 -31.42 5 5 1 92 202.241 2 ↓
Mid Mid (pH 6-8) -0.03 0 -53.78 5 5 1 92 202.241 2 ↓

Analogs

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Popular Name: 3-[(R)-amino(pyrazin-2-yl)methyl]pyridin-2-amine 3-[(R)-amino(pyrazin-2-yl)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) -0.03 -0.69 -7.81 4 5 0 91 201.233 2 ↓
Mid Mid (pH 6-8) -0.03 -0.22 -33.13 5 5 1 92 202.241 2 ↓
Mid Mid (pH 6-8) -0.03 -0.37 -49.24 5 5 1 92 202.241 2 ↓

Analogs

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Popular Name: 3-[(S)-amino(pyrazin-2-yl)methyl]pyridin-4-amine 3-[(S)-amino(pyrazin-2-yl)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) -0.39 -0.74 -31.81 5 5 1 92 202.241 2 ↓
Hi High (pH 8-9.5) -0.39 -1.21 -7.88 4 5 0 91 201.233 2 ↓
Mid Mid (pH 6-8) -0.39 -0.43 -111.72 6 5 2 94 203.249 2 ↓

Analogs

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Popular Name: 3-[(R)-amino(pyrazin-2-yl)methyl]pyridin-4-amine 3-[(R)-amino(pyrazin-2-yl)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) -0.39 -1.14 -33.24 5 5 1 92 202.241 2 ↓
Hi High (pH 8-9.5) -0.39 -1.61 -8.05 4 5 0 91 201.233 2 ↓
Mid Mid (pH 6-8) -0.39 -0.83 -107.07 6 5 2 94 203.249 2 ↓

Analogs

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Popular Name: 3-[(S)-methylamino(pyrazin-2-yl)methyl]pyridin-2-amine 3-[(S)-methylamino(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) 0.34 1.67 -40.99 4 5 1 81 216.268 3 ↓
Mid Mid (pH 6-8) 0.34 1.32 -31.9 4 5 1 78 216.268 3 ↓
Mid Mid (pH 6-8) 0.34 0.84 -6.61 3 5 0 77 215.26 3 ↓

Analogs

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Popular Name: 3-[(R)-methylamino(pyrazin-2-yl)methyl]pyridin-2-amine 3-[(R)-methylamino(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) 0.34 1.57 -38.34 4 5 1 81 216.268 3 ↓
Mid Mid (pH 6-8) 0.34 0.41 -7.49 3 5 0 77 215.26 3 ↓
Mid Mid (pH 6-8) 0.34 0.89 -31.31 4 5 1 78 216.268 3 ↓

Analogs

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Popular Name: 3-[(S)-methylamino(pyrazin-2-yl)methyl]pyridin-4-amine 3-[(S)-methylamino(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) -0.02 0.35 -32.11 4 5 1 78 216.268 3 ↓
Hi High (pH 8-9.5) -0.02 -0.12 -6.85 3 5 0 77 215.26 3 ↓
Mid Mid (pH 6-8) -0.02 1.31 -103.68 5 5 2 83 217.276 3 ↓

Analogs

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Popular Name: 3-[(R)-methylamino(pyrazin-2-yl)methyl]pyridin-4-amine 3-[(R)-methylamino(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) -0.02 -0.02 -30.05 4 5 1 78 216.268 3 ↓
Hi High (pH 8-9.5) -0.02 -0.48 -8.41 3 5 0 77 215.26 3 ↓
Mid Mid (pH 6-8) -0.02 1.02 -100.83 5 5 2 83 217.276 3 ↓

Analogs

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Popular Name: 3-(pyrazin-2-ylmethyl)pyridin-4-amine 3-(pyrazin-2-ylmethyl)pyridin-4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.61 2.13 -33.23 3 4 1 66 187.226 2 ↓
Hi High (pH 8-9.5) 0.61 1.67 -7.88 2 4 0 65 186.218 2 ↓

Analogs

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Popular Name: (S)-(2-amino-4-methyl-3-pyridyl)-pyrazin-2-yl-methanol (S)-(2-amino-4-methyl-3-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) 0.30 0.75 -32.27 4 5 1 86 217.252 2 ↓
Mid Mid (pH 6-8) 0.30 0.29 -8.18 3 5 0 85 216.244 2 ↓

Analogs

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Popular Name: (R)-(2-amino-4-methyl-3-pyridyl)-pyrazin-2-yl-methanol (R)-(2-amino-4-methyl-3-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) 0.30 1.15 -32.89 4 5 1 86 217.252 2 ↓
Mid Mid (pH 6-8) 0.30 0.68 -8.68 3 5 0 85 216.244 2 ↓

Analogs

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Popular Name: 3-[(S)-amino(pyrazin-2-yl)methyl]-4-methyl-pyridin-2-amine 3-[(S)-amino(pyrazin-2-yl)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) 0.34 0.69 -30.97 5 5 1 92 216.268 2 ↓
Hi High (pH 8-9.5) 0.34 0.23 -8.26 4 5 0 91 215.26 2 ↓
Mid Mid (pH 6-8) 0.34 0.57 -46.25 5 5 1 92 216.268 2 ↓

Analogs

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Popular Name: 3-[(R)-amino(pyrazin-2-yl)methyl]-4-methyl-pyridin-2-amine 3-[(R)-amino(pyrazin-2-yl)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) 0.34 1.13 -32.25 5 5 1 92 216.268 2 ↓
Hi High (pH 8-9.5) 0.34 0.65 -7.43 4 5 0 91 215.26 2 ↓
Mid Mid (pH 6-8) 0.34 0.98 -46.63 5 5 1 92 216.268 2 ↓

Analogs

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Popular Name: (S)-(2-amino-5-methyl-3-pyridyl)-pyrazin-2-yl-methanol (S)-(2-amino-5-methyl-3-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) 0.36 0.73 -32.05 4 5 1 86 217.252 2 ↓
Mid Mid (pH 6-8) 0.36 0.25 -8 3 5 0 85 216.244 2 ↓

Analogs

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Popular Name: (R)-(2-amino-5-methyl-3-pyridyl)-pyrazin-2-yl-methanol (R)-(2-amino-5-methyl-3-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) 0.36 0.28 -32.91 4 5 1 86 217.252 2 ↓
Mid Mid (pH 6-8) 0.36 -0.2 -8.48 3 5 0 85 216.244 2 ↓

Analogs

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Popular Name: 3-[(S)-amino(pyrazin-2-yl)methyl]-5-methyl-pyridin-2-amine 3-[(S)-amino(pyrazin-2-yl)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) 0.40 0.88 -31.06 5 5 1 92 216.268 2 ↓
Mid Mid (pH 6-8) 0.40 0.34 -7.62 4 5 0 91 215.26 2 ↓
Mid Mid (pH 6-8) 0.40 0.65 -53.59 5 5 1 92 216.268 2 ↓

Analogs

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Popular Name: 3-[(R)-amino(pyrazin-2-yl)methyl]-5-methyl-pyridin-2-amine 3-[(R)-amino(pyrazin-2-yl)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) 0.40 0.42 -30.73 5 5 1 92 216.268 2 ↓
Mid Mid (pH 6-8) 0.40 -0.06 -7.79 4 5 0 91 215.26 2 ↓
Mid Mid (pH 6-8) 0.40 0.74 -102.91 6 5 2 94 217.276 2 ↓

Analogs

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Popular Name: (R)-(2-amino-5-chloro-3-pyridyl)-pyrazin-2-yl-methanol (R)-(2-amino-5-chloro-3-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) 0.75 -0.33 -7.81 3 5 0 85 236.662 2 ↓

Analogs

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Popular Name: (S)-(2-amino-5-chloro-3-pyridyl)-pyrazin-2-yl-methanol (S)-(2-amino-5-chloro-3-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) 0.75 0.11 -7.13 3 5 0 85 236.662 2 ↓

Analogs

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Popular Name: 3-[(R)-amino(pyrazin-2-yl)methyl]-5-chloro-pyridin-2-amine 3-[(R)-amino(pyrazin-2-yl)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) 0.79 -0.21 -7.13 4 5 0 91 235.678 2 ↓
Mid Mid (pH 6-8) 0.79 0.11 -50.01 5 5 1 92 236.686 2 ↓

Analogs

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Popular Name: 3-[(S)-amino(pyrazin-2-yl)methyl]-5-chloro-pyridin-2-amine 3-[(S)-amino(pyrazin-2-yl)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) 0.79 0.27 -6.26 4 5 0 91 235.678 2 ↓
Mid Mid (pH 6-8) 0.79 0.5 -54 5 5 1 92 236.686 2 ↓

Analogs

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Popular Name: 3-(pyrazin-2-ylmethyl)pyridin-2-amine 3-(pyrazin-2-ylmethyl)pyridin-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) 0.97 3.04 -31.74 3 4 1 66 187.226 2 ↓
Mid Mid (pH 6-8) 0.97 2.57 -7.92 2 4 0 65 186.218 2 ↓

Analogs

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Popular Name: 3-[(S)-ethylamino(pyrazin-2-yl)methyl]pyridin-2-amine 3-[(S)-ethylamino(pyrazin-2-yl)m…

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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) 0.72 2.5 -38.84 4 5 1 81 230.295 4 ↓
Mid Mid (pH 6-8) 0.72 1.74 -6.34 3 5 0 77 229.287 4 ↓
Mid Mid (pH 6-8) 0.72 2.22 -31.9 4 5 1 78 230.295 4 ↓

Analogs

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Popular Name: 3-[(R)-ethylamino(pyrazin-2-yl)methyl]pyridin-2-amine 3-[(R)-ethylamino(pyrazin-2-yl)m…

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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) 0.72 2.41 -36.57 4 5 1 81 230.295 4 ↓
Mid Mid (pH 6-8) 0.72 1.33 -7.22 3 5 0 77 229.287 4 ↓
Mid Mid (pH 6-8) 0.72 1.8 -31.34 4 5 1 78 230.295 4 ↓

Analogs

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Popular Name: 3-[(S)-ethylamino(pyrazin-2-yl)methyl]pyridin-4-amine 3-[(S)-ethylamino(pyrazin-2-yl)m…

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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) 0.36 1.98 -97.77 5 5 2 83 231.303 4 ↓
Hi High (pH 8-9.5) 0.36 0.78 -6.58 3 5 0 77 229.287 4 ↓
Mid Mid (pH 6-8) 0.36 1.25 -32.05 4 5 1 78 230.295 4 ↓

Analogs

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Popular Name: 3-[(R)-ethylamino(pyrazin-2-yl)methyl]pyridin-4-amine 3-[(R)-ethylamino(pyrazin-2-yl)m…

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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) 0.36 1.98 -93.66 5 5 2 83 231.303 4 ↓
Hi High (pH 8-9.5) 0.36 0.41 -8.19 3 5 0 77 229.287 4 ↓
Mid Mid (pH 6-8) 0.36 0.88 -30.02 4 5 1 78 230.295 4 ↓

Analogs

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Popular Name: 3-[(S)-propylamino(pyrazin-2-yl)methyl]pyridin-2-amine 3-[(S)-propylamino(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) 1.22 3.25 -39.39 4 5 1 81 244.322 5 ↓
Mid Mid (pH 6-8) 1.22 2.89 -31.97 4 5 1 78 244.322 5 ↓
Mid Mid (pH 6-8) 1.22 2.55 -6.31 3 5 0 77 243.314 5 ↓

Analogs

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Popular Name: 3-[(R)-propylamino(pyrazin-2-yl)methyl]pyridin-2-amine 3-[(R)-propylamino(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) 1.22 3.21 -39.21 4 5 1 81 244.322 5 ↓
Mid Mid (pH 6-8) 1.22 2.61 -31.32 4 5 1 78 244.322 5 ↓
Mid Mid (pH 6-8) 1.22 2.09 -7.05 3 5 0 77 243.314 5 ↓

Analogs

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Popular Name: 3-[(S)-propylamino(pyrazin-2-yl)methyl]pyridin-4-amine 3-[(S)-propylamino(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) 0.86 2.73 -99.24 5 5 2 83 245.33 5 ↓
Hi High (pH 8-9.5) 0.86 1.54 -6.41 3 5 0 77 243.314 5 ↓
Mid Mid (pH 6-8) 0.86 1.98 -32.19 4 5 1 78 244.322 5 ↓

Analogs

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Popular Name: 3-[(R)-propylamino(pyrazin-2-yl)methyl]pyridin-4-amine 3-[(R)-propylamino(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) 0.86 2.73 -99.04 5 5 2 83 245.33 5 ↓
Hi High (pH 8-9.5) 0.86 1.17 -8.05 3 5 0 77 243.314 5 ↓
Mid Mid (pH 6-8) 0.86 1.69 -30.83 4 5 1 78 244.322 5 ↓

Analogs

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Popular Name: (R)-(5-fluoro-3-pyridyl)-pyrazin-2-yl-methanamine (R)-(5-fluoro-3-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) 0.51 0.52 -6.87 2 4 0 65 204.208 2 ↓
Mid Mid (pH 6-8) 0.51 0.87 -51.39 3 4 1 66 205.216 2 ↓

Analogs

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Popular Name: (S)-(5-fluoro-3-pyridyl)-pyrazin-2-yl-methanamine (S)-(5-fluoro-3-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) 0.51 0.73 -6.65 2 4 0 65 204.208 2 ↓
Mid Mid (pH 6-8) 0.51 0.98 -55.96 3 4 1 66 205.216 2 ↓

Analogs

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Popular Name: N-[(S)-(5-fluoro-3-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(S)-(5-fluoro-3-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) 1.26 3.63 -42.24 2 4 1 55 233.27 4 ↓
Mid Mid (pH 6-8) 1.26 2.85 -5.8 1 4 0 51 232.262 4 ↓

Analogs

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Popular Name: N-[(R)-(5-fluoro-3-pyridyl)-pyrazin-2-yl-methyl]ethanamine N-[(R)-(5-fluoro-3-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) 1.26 3.87 -42.55 2 4 1 55 233.27 4 ↓
Mid Mid (pH 6-8) 1.26 2.44 -6.8 1 4 0 51 232.262 4 ↓

Analogs

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Popular Name: N-[(S)-(5-fluoro-3-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(S)-(5-fluoro-3-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) 1.76 4.39 -42.86 2 4 1 55 247.297 5 ↓
Mid Mid (pH 6-8) 1.76 3.33 -5.49 1 4 0 51 246.289 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-fluoro-3-pyridyl)-pyrazin-2-yl-methyl]propan-1-amine N-[(R)-(5-fluoro-3-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) 1.76 4.39 -42.84 2 4 1 55 247.297 5 ↓
Mid Mid (pH 6-8) 1.76 3.21 -6.18 1 4 0 51 246.289 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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