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Analogs

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Popular Name: (1S)-N-methyl-1-(2-propylpyrazol-3-yl)-1-pyrimidin-4-yl-methanamine (1S)-N-methyl-1-(2-propylpyrazol…

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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) 1.16 3.82 -8.78 1 5 0 56 231.303 5 ↓
Mid Mid (pH 6-8) 1.16 5.69 -51.24 2 5 1 60 232.311 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(2-propylpyrazol-3-yl)-1-pyrimidin-4-yl-methanamine (1R)-N-methyl-1-(2-propylpyrazol…

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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) 1.16 3.83 -8.89 1 5 0 56 231.303 5 ↓
Mid Mid (pH 6-8) 1.16 4.94 -47.26 2 5 1 60 232.311 5 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-pyrimidin-4-yl-methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-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) 1.03 3.8 -8.46 1 5 0 56 231.303 5 ↓
Mid Mid (pH 6-8) 1.03 6.09 -40.1 2 5 1 60 232.311 5 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-pyrimidin-4-yl-methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-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) 1.03 3.81 -9.17 1 5 0 56 231.303 5 ↓
Mid Mid (pH 6-8) 1.03 5.26 -41.38 2 5 1 60 232.311 5 ↓

Analogs

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Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-pyrimidin-4-yl-methyl]ethanamine N-[(S)-(2-propylpyrazol-3-yl)-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 4.29 -8.2 1 5 0 56 245.33 6 ↓
Mid Mid (pH 6-8) 1.53 6.52 -40.35 2 5 1 60 246.338 6 ↓

Analogs

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Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-pyrimidin-4-yl-methyl]ethanamine N-[(R)-(2-propylpyrazol-3-yl)-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 4.67 -8.35 1 5 0 56 245.33 6 ↓
Mid Mid (pH 6-8) 1.53 6.24 -41.78 2 5 1 60 246.338 6 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-pyrimidin-4-yl-methyl]propan-1-amine N-[(R)-(2-ethylpyrazol-3-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) 1.53 4.34 -7.98 1 5 0 56 245.33 6 ↓
Mid Mid (pH 6-8) 1.53 6.84 -40.47 2 5 1 60 246.338 6 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-pyrimidin-4-yl-methyl]propan-1-amine N-[(S)-(2-ethylpyrazol-3-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) 1.53 5.09 -6.73 1 5 0 56 245.33 6 ↓
Mid Mid (pH 6-8) 1.53 6.24 -42.36 2 5 1 60 246.338 6 ↓

Analogs

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Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-pyrimidin-4-yl-methyl]propan-1-amine N-[(R)-(2-propylpyrazol-3-yl)-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) 2.03 5.1 -7.93 1 5 0 56 259.357 7 ↓
Mid Mid (pH 6-8) 2.03 7.6 -40.44 2 5 1 60 260.365 7 ↓

Analogs

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Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-pyrimidin-4-yl-methyl]propan-1-amine N-[(S)-(2-propylpyrazol-3-yl)-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) 2.03 5.84 -6.51 1 5 0 56 259.357 7 ↓
Mid Mid (pH 6-8) 2.03 7 -42.37 2 5 1 60 260.365 7 ↓

Analogs

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Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-pyrimidin-4-yl-methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 3.76 -9.16 1 5 0 56 231.303 5 ↓
Mid Mid (pH 6-8) 1.16 5.26 -42.69 2 5 1 60 232.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-pyrimidin-4-yl-methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 4.52 -7.33 1 5 0 56 231.303 5 ↓
Mid Mid (pH 6-8) 1.16 5.16 -42.21 2 5 1 60 232.311 5 ↓