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Analogs

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Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(2-pyridyl)methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-(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) 1.67 5.46 -38.17 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.67 3.96 -8.25 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-(2-pyridyl)methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-(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) 1.67 5.34 -37.8 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.67 4.78 -6.67 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-(3-methyl-2-pyridyl)methyl]ethanamine N-[(S)-(2-methylpyrazol-3-yl)-(3…

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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) 1.96 5.62 -36 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.96 4.49 -6.16 1 4 0 43 230.315 4 ↓

Analogs

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Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(3-methyl-2-pyridyl)methyl]ethanamine N-[(R)-(2-methylpyrazol-3-yl)-(3…

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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) 1.96 4.91 -38.15 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.96 4.96 -7.02 1 4 0 43 230.315 4 ↓

Analogs

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

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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) 2.46 6.38 -36.43 2 4 1 47 245.35 5 ↓
Mid Mid (pH 6-8) 2.46 5.26 -6.01 1 4 0 43 244.342 5 ↓

Analogs

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

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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) 2.46 5.56 -38.02 2 4 1 47 245.35 5 ↓
Mid Mid (pH 6-8) 2.46 5.72 -6.88 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(6-methyl-2-pyridyl)methyl]ethanamine N-[(R)-(2-methylpyrazol-3-yl)-(6…

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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 5.31 -37.5 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.22 3.95 -8.69 1 4 0 43 230.315 4 ↓

Analogs

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Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-(6-methyl-2-pyridyl)methyl]ethanamine N-[(S)-(2-methylpyrazol-3-yl)-(6…

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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 5.19 -37.06 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.22 4.61 -6.86 1 4 0 43 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(6-methyl-2-pyridyl)methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-(6…

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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) 1.72 6.06 -38.07 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 1.72 4.69 -8.49 1 4 0 43 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-(6-methyl-2-pyridyl)methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-(6…

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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) 1.72 5.94 -37.62 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 1.72 5.38 -6.74 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-(4-methyl-2-pyridyl)methyl]ethanamine N-[(S)-(2-methylpyrazol-3-yl)-(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) 1.96 5.25 -36.98 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.96 4.66 -6.66 1 4 0 43 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(4-methyl-2-pyridyl)methyl]ethanamine N-[(R)-(2-methylpyrazol-3-yl)-(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) 1.96 5.6 -37.85 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.96 4.02 -8.3 1 4 0 43 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-(4-methyl-2-pyridyl)methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-(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) 2.46 6.01 -37.5 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 2.46 5.44 -6.59 1 4 0 43 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(4-methyl-2-pyridyl)methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-(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) 2.46 6.13 -38 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 2.46 4.75 -8.19 1 4 0 43 244.342 5 ↓

Analogs

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

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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) 2.04 3.59 -7.99 1 4 0 51 231.299 4 ↓
Lo Low (pH 4.5-6) 2.04 4.79 -36.88 2 4 1 52 232.307 4 ↓

Analogs

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

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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) 2.04 3.42 -8.53 1 4 0 51 231.299 4 ↓
Lo Low (pH 4.5-6) 2.04 4.18 -36.97 2 4 1 52 232.307 4 ↓

Analogs

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Popular Name: (S)-(6-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methanol (S)-(6-methyl-2-pyridyl)-(2-prop…

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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) 1.31 4.19 -7.85 1 4 0 51 231.299 4 ↓
Lo Low (pH 4.5-6) 1.31 4.85 -34.88 2 4 1 52 232.307 4 ↓

Analogs

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Popular Name: (R)-(6-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methanol (R)-(6-methyl-2-pyridyl)-(2-prop…

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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) 1.31 3.64 -8.4 1 4 0 51 231.299 4 ↓
Lo Low (pH 4.5-6) 1.31 4.23 -35.76 2 4 1 52 232.307 4 ↓

Analogs

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Popular Name: (S)-(4-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methanol (S)-(4-methyl-2-pyridyl)-(2-prop…

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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) 2.04 4.27 -7.58 1 4 0 51 231.299 4 ↓
Lo Low (pH 4.5-6) 2.04 4.94 -36.85 2 4 1 52 232.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methanol (R)-(4-methyl-2-pyridyl)-(2-prop…

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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) 2.04 3.7 -8.17 1 4 0 51 231.299 4 ↓
Lo Low (pH 4.5-6) 2.04 4.36 -37.56 2 4 1 52 232.307 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(2-propylpyrazol-3-yl)-1-(2-pyridyl)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) 1.67 5.89 -46.59 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.67 4.06 -8.31 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(2-propylpyrazol-3-yl)-1-(2-pyridyl)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) 1.67 5.15 -42.68 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.67 4.03 -7.93 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-(2-pyridyl)methyl]ethanamine N-[(S)-(2-propylpyrazol-3-yl)-(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) 2.05 6.12 -36.64 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 2.05 4.96 -7.93 1 4 0 43 244.342 6 ↓

Analogs

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Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-(2-pyridyl)methyl]ethanamine N-[(R)-(2-propylpyrazol-3-yl)-(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) 2.05 6.44 -37.38 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 2.05 4.95 -7.62 1 4 0 43 244.342 6 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(2-pyridyl)methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-(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) 1.54 6.3 -35.91 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.54 4.19 -8.46 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(2-pyridyl)methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-(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) 1.54 5.45 -37 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.54 4.86 -6.52 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-(2-pyridyl)methyl]propan-1-amine N-[(R)-(2-propylpyrazol-3-yl)-(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) 2.55 7.81 -36.13 2 4 1 47 259.377 7 ↓
Mid Mid (pH 6-8) 2.55 5.52 -7.25 1 4 0 43 258.369 7 ↓

Analogs

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Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-(2-pyridyl)methyl]propan-1-amine N-[(S)-(2-propylpyrazol-3-yl)-(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) 2.55 7.19 -37.87 2 4 1 47 259.377 7 ↓
Mid Mid (pH 6-8) 2.55 6.05 -5.97 1 4 0 43 258.369 7 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(2-pyridyl)methyl]propan-1-amine N-[(R)-(2-ethylpyrazol-3-yl)-(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) 2.05 6.07 -38 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 2.05 4.48 -7.98 1 4 0 43 244.342 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(2-pyridyl)methyl]propan-1-amine N-[(S)-(2-ethylpyrazol-3-yl)-(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) 2.05 6.2 -37.45 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 2.05 5.6 -6.48 1 4 0 43 244.342 6 ↓

Analogs

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

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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 4.12 -44.99 3 4 1 58 231.323 4 ↓
Mid Mid (pH 6-8) 2.08 3.79 -7.55 2 4 0 57 230.315 4 ↓

Analogs

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

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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 3.94 -44.37 3 4 1 58 231.323 4 ↓
Mid Mid (pH 6-8) 2.08 3.58 -7.85 2 4 0 57 230.315 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(3-methyl-2-pyridyl)-1-(2-propylpyrazol-3-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) 2.46 5.53 -40.24 2 4 1 47 245.35 5 ↓
Mid Mid (pH 6-8) 2.46 6.24 -7.3 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(3-methyl-2-pyridyl)-1-(2-propylpyrazol-3-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) 2.46 5.78 -38.05 2 4 1 47 245.35 5 ↓
Mid Mid (pH 6-8) 2.46 4.31 -8.21 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-(3-methyl-2-pyridyl)methanamine (1S)-1-(2-ethylpyrazol-3-yl)-N-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) 1.96 4.83 -40.15 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.96 5.37 -7.41 1 4 0 43 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-(3-methyl-2-pyridyl)methanamine (1R)-1-(2-ethylpyrazol-3-yl)-N-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) 1.96 4.8 -40.63 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.96 3.54 -8.46 1 4 0 43 230.315 4 ↓

Analogs

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Popular Name: N-[(S)-(3-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(S)-(3-methyl-2-pyridyl)-(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) 2.83 6.37 -38.27 2 4 1 47 259.377 6 ↓
Mid Mid (pH 6-8) 2.83 7.11 -7.02 1 4 0 43 258.369 6 ↓

Analogs

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Popular Name: N-[(R)-(3-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(R)-(3-methyl-2-pyridyl)-(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) 2.83 6.62 -36.16 2 4 1 47 259.377 6 ↓
Mid Mid (pH 6-8) 2.83 5.25 -7.92 1 4 0 43 258.369 6 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(3-methyl-2-pyridyl)methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-(3-…

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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) 2.33 5.68 -37.93 2 4 1 47 245.35 5 ↓
Mid Mid (pH 6-8) 2.33 5.7 -5.91 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(3-methyl-2-pyridyl)methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-(3-…

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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) 2.33 5.71 -38.13 2 4 1 47 245.35 5 ↓
Mid Mid (pH 6-8) 2.33 6.28 -7.04 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: N-[(S)-(3-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-(3-methyl-2-pyridyl)-(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) 3.34 7.28 -38.49 2 4 1 47 273.404 7 ↓
Mid Mid (pH 6-8) 3.34 6.06 -7.93 1 4 0 43 272.396 7 ↓

Analogs

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Popular Name: N-[(R)-(3-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-(3-methyl-2-pyridyl)-(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) 3.34 7.22 -38.54 2 4 1 47 273.404 7 ↓
Mid Mid (pH 6-8) 3.34 7.82 -6.78 1 4 0 43 272.396 7 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(3-methyl-2-pyridyl)methyl]propan-1-amine N-[(S)-(2-ethylpyrazol-3-yl)-(3-…

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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) 2.83 6.44 -38.4 2 4 1 47 259.377 6 ↓
Mid Mid (pH 6-8) 2.83 5.31 -8.13 1 4 0 43 258.369 6 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(3-methyl-2-pyridyl)methyl]propan-1-amine N-[(R)-(2-ethylpyrazol-3-yl)-(3-…

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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) 2.83 6.35 -37.96 2 4 1 47 259.377 6 ↓
Mid Mid (pH 6-8) 2.83 7.08 -6.88 1 4 0 43 258.369 6 ↓

Analogs

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Popular Name: (S)-(6-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methanamine (S)-(6-methyl-2-pyridyl)-(2-prop…

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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) 1.35 4.65 -53.48 3 4 1 58 231.323 4 ↓
Mid Mid (pH 6-8) 1.35 4.42 -6.89 2 4 0 57 230.315 4 ↓

Analogs

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Popular Name: (R)-(6-methyl-2-pyridyl)-(2-propylpyrazol-3-yl)methanamine (R)-(6-methyl-2-pyridyl)-(2-prop…

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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) 1.35 4.16 -47.22 3 4 1 58 231.323 4 ↓
Mid Mid (pH 6-8) 1.35 3.82 -8.01 2 4 0 57 230.315 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(6-methyl-2-pyridyl)-1-(2-propylpyrazol-3-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) 1.72 6.49 -46.65 2 4 1 47 245.35 5 ↓
Mid Mid (pH 6-8) 1.72 4.66 -8.37 1 4 0 43 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(6-methyl-2-pyridyl)-1-(2-propylpyrazol-3-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) 1.72 5.75 -42.7 2 4 1 47 245.35 5 ↓
Mid Mid (pH 6-8) 1.72 4.64 -7.96 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-(6-methyl-2-pyridyl)methanamine (1S)-1-(2-ethylpyrazol-3-yl)-N-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) 1.22 5.7 -46.7 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.22 3.92 -8.54 1 4 0 43 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-(6-methyl-2-pyridyl)methanamine (1R)-1-(2-ethylpyrazol-3-yl)-N-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) 1.22 5.02 -42.54 2 4 1 47 231.323 4 ↓
Mid Mid (pH 6-8) 1.22 3.88 -8.29 1 4 0 43 230.315 4 ↓

Parameters Provided:

ring.id = 343013
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 = 343013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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