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Analogs

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Popular Name: 3,5-dimethyl-1-(2-pyridylmethyl)pyrazole-4-carbaldehyde 3,5-dimethyl-1-(2-pyridylmethyl)…

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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 5.16 -11.56 0 4 0 48 215.256 3 ↓

Analogs

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Popular Name: 1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazole-4-carbaldehyde 1-[(4-methoxy-3,5-dimethyl-2-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) 2.17 5.67 -11.3 0 5 0 57 273.336 4 ↓
Lo Low (pH 4.5-6) 2.17 6.17 -46.06 1 5 1 58 274.344 4 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-(2-pyridylmethyl)pyrazol-4-yl]methanol [3,5-dimethyl-1-(2-pyridylmethyl…

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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) 0.52 2.61 -10.89 1 4 0 51 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methanol [1-[(4-methoxy-3,5-dimethyl-2-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) 1.72 3.11 -10.43 1 5 0 60 275.352 4 ↓
Lo Low (pH 4.5-6) 1.72 3.61 -37.96 2 5 1 61 276.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3,5-dimethyl-1-(2-pyridylmethyl)pyrazol-4-yl]methanamine [3,5-dimethyl-1-(2-pyridylmethyl…

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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) 0.37 3.32 -45.56 3 4 1 58 217.296 3 ↓
Hi High (pH 8-9.5) 0.37 2.92 -8.27 2 4 0 57 216.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methanamine [1-[(4-methoxy-3,5-dimethyl-2-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) 1.57 3.83 -45.58 3 5 1 68 275.376 4 ↓
Hi High (pH 8-9.5) 1.57 3.43 -7.91 2 5 0 66 274.368 4 ↓
Lo Low (pH 4.5-6) 1.57 4.32 -95.58 4 5 2 69 276.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3,5-dimethyl-1-(2-pyridylmethyl)pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-(2-pyridylmeth…

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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) 0.74 5.2 -40.37 2 4 1 47 231.323 4 ↓
Hi High (pH 8-9.5) 0.74 3.75 -7.76 1 4 0 43 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[1-[(4-methoxy-3,5-dimethyl-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) 1.94 5.7 -40.36 2 5 1 57 289.403 5 ↓
Hi High (pH 8-9.5) 1.94 4.25 -7.55 1 5 0 52 288.395 5 ↓
Lo Low (pH 4.5-6) 1.94 6.2 -90.68 3 5 2 58 290.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3,5-dimethyl-1-(2-pyridylmethyl)pyrazol-4-yl]methyl]ethanamine N-[[3,5-dimethyl-1-(2-pyridylmet…

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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) 1.12 6.1 -43.15 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 1.12 4.74 -10.23 1 4 0 43 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3,5-dimethyl-1-(2-pyridylmethyl)pyrazol-4-yl]methyl]propan-1-amine N-[[3,5-dimethyl-1-(2-pyridylmet…

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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) 1.62 6.86 -43.69 2 4 1 47 259.377 6 ↓
Hi High (pH 8-9.5) 1.62 5.5 -10.1 1 4 0 43 258.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3,5-dimethyl-1-(2-pyridylmethyl)pyrazol-4-yl]methyl]propan-2-amine N-[[3,5-dimethyl-1-(2-pyridylmet…

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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) 1.41 6.58 -37.8 2 4 1 47 259.377 5 ↓
Hi High (pH 8-9.5) 1.41 5.38 -7.31 1 4 0 43 258.369 5 ↓

Analogs

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Popular Name: 2-[[4-(chloromethyl)-3,5-dimethyl-pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethyl-pyridine 2-[[4-(chloromethyl)-3,5-dimethy…

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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) 2.96 7.07 -8.35 0 4 0 40 293.798 4 ↓
Lo Low (pH 4.5-6) 2.96 7.56 -37.14 1 4 1 41 294.806 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(chloromethyl)-3,5-dimethyl-pyrazol-1-yl]methyl]pyridine 2-[[4-(chloromethyl)-3,5-dimethy…

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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 6.56 -8.58 0 3 0 31 235.718 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanone 1-[1-[(4-methoxy-3,5-dimethyl-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) 2.28 6.49 -10.03 0 5 0 57 287.363 4 ↓
Lo Low (pH 4.5-6) 2.28 6.95 -42.14 1 5 1 58 288.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]ethanone 1-[1-[(4-methoxy-3,5-dimethyl-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) 1.84 5.29 -11.88 0 5 0 57 259.309 4 ↓
Lo Low (pH 4.5-6) 1.84 5.84 -37.68 1 5 1 58 260.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazole-4-carbaldehyde 1-[(4-methoxy-3,5-dimethyl-2-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) 1.73 4.61 -17.04 0 5 0 57 245.282 4 ↓
Lo Low (pH 4.5-6) 1.73 5.17 -44.27 1 5 1 58 246.29 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]propan-1-one 1-[1-[(4-methoxy-3,5-dimethyl-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) 2.34 6.37 -11.23 0 5 0 57 273.336 5 ↓
Lo Low (pH 4.5-6) 2.34 6.93 -38.26 1 5 1 58 274.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanamine (1R)-1-[1-[(4-methoxy-3,5-dimeth…

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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 4.55 -44.12 3 5 1 68 289.403 4 ↓
Hi High (pH 8-9.5) 0.25 4.24 -7.09 2 5 0 66 288.395 4 ↓
Lo Low (pH 4.5-6) 0.25 5.06 -97.63 4 5 2 69 290.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanamine (1S)-1-[1-[(4-methoxy-3,5-dimeth…

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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 4.59 -43.31 3 5 1 68 289.403 4 ↓
Hi High (pH 8-9.5) 0.25 4.25 -8.36 2 5 0 66 288.395 4 ↓
Lo Low (pH 4.5-6) 0.25 5.08 -90.66 4 5 2 69 290.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]methanamine [1-[(4-methoxy-3,5-dimethyl-2-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) 1.12 2.91 -51.67 3 5 1 68 247.322 4 ↓
Hi High (pH 8-9.5) 1.12 2.5 -9.97 2 5 0 66 246.314 4 ↓
Lo Low (pH 4.5-6) 1.12 3.46 -92.54 4 5 2 69 248.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]ethanamine (1R)-1-[1-[(4-methoxy-3,5-dimeth…

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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) -0.20 3.57 -48.84 3 5 1 68 261.349 4 ↓
Hi High (pH 8-9.5) -0.20 3.23 -10.29 2 5 0 66 260.341 4 ↓
Lo Low (pH 4.5-6) -0.20 4.12 -91.71 4 5 2 69 262.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]ethanamine (1S)-1-[1-[(4-methoxy-3,5-dimeth…

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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) -0.20 3.57 -49.07 3 5 1 68 261.349 4 ↓
Hi High (pH 8-9.5) -0.20 3.24 -10.37 2 5 0 66 260.341 4 ↓
Lo Low (pH 4.5-6) -0.20 4.12 -89.8 4 5 2 69 262.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]propan-1-amine (1S)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 0.31 4.54 -48.75 3 5 1 68 275.376 5 ↓
Hi High (pH 8-9.5) 0.31 4.22 -8.89 2 5 0 66 274.368 5 ↓
Lo Low (pH 4.5-6) 0.31 5.08 -89.98 4 5 2 69 276.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]propan-1-amine (1R)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 0.31 4.54 -49.15 3 5 1 68 275.376 5 ↓
Hi High (pH 8-9.5) 0.31 4.19 -9.5 2 5 0 66 274.368 5 ↓
Lo Low (pH 4.5-6) 0.31 5.08 -91.72 4 5 2 69 276.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]-N-methyl-methanamine 1-[1-[(4-methoxy-3,5-dimethyl-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) 1.50 4.78 -46.56 2 5 1 57 261.349 5 ↓
Hi High (pH 8-9.5) 1.50 3.34 -10.41 1 5 0 52 260.341 5 ↓
Lo Low (pH 4.5-6) 1.50 5.33 -87.9 3 5 2 58 262.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]methyl]ethanamine N-[[1-[(4-methoxy-3,5-dimethyl-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) 1.88 5.8 -46.02 2 5 1 57 275.376 6 ↓
Hi High (pH 8-9.5) 1.88 4.43 -8.8 1 5 0 52 274.368 6 ↓
Lo Low (pH 4.5-6) 1.88 6.34 -88.23 3 5 2 58 276.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]methyl]propan-1-amine N-[[1-[(4-methoxy-3,5-dimethyl-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) 2.38 6.55 -46.89 2 5 1 57 289.403 7 ↓
Hi High (pH 8-9.5) 2.38 5.19 -8.7 1 5 0 52 288.395 7 ↓
Lo Low (pH 4.5-6) 2.38 7.1 -89.57 3 5 2 58 290.411 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]methyl]propan-2-amine N-[[1-[(4-methoxy-3,5-dimethyl-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) 2.17 6.16 -44.18 2 5 1 57 289.403 6 ↓
Hi High (pH 8-9.5) 2.17 4.96 -9.98 1 5 0 52 288.395 6 ↓
Lo Low (pH 4.5-6) 2.17 6.72 -87.31 3 5 2 58 290.411 6 ↓

Analogs

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Popular Name: (1R)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]-N-methyl-ethanamine (1R)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 2.06 5.31 -43.76 2 5 1 57 275.376 5 ↓
Hi High (pH 8-9.5) 2.06 4.08 -10.2 1 5 0 52 274.368 5 ↓
Lo Low (pH 4.5-6) 2.06 5.86 -87.03 3 5 2 58 276.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]-N-methyl-ethanamine (1S)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 2.06 5.3 -44.04 2 5 1 57 275.376 5 ↓
Hi High (pH 8-9.5) 2.06 4.02 -9.73 1 5 0 52 274.368 5 ↓
Lo Low (pH 4.5-6) 2.06 5.86 -85.26 3 5 2 58 276.384 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]ethanamine (1S)-N-ethyl-1-[1-[(4-methoxy-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) 2.43 6.31 -43.28 2 5 1 57 289.403 6 ↓
Hi High (pH 8-9.5) 2.43 5.16 -9.32 1 5 0 52 288.395 6 ↓
Lo Low (pH 4.5-6) 2.43 6.86 -84.93 3 5 2 58 290.411 6 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]ethanamine (1R)-N-ethyl-1-[1-[(4-methoxy-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) 2.43 6.32 -43.53 2 5 1 57 289.403 6 ↓
Hi High (pH 8-9.5) 2.43 5.11 -8.75 1 5 0 52 288.395 6 ↓
Lo Low (pH 4.5-6) 2.43 6.87 -86.33 3 5 2 58 290.411 6 ↓

Analogs

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Popular Name: (1S)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]-N-methyl-propan-1-amine (1S)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 1.66 6.24 -43.75 2 5 1 57 289.403 6 ↓
Hi High (pH 8-9.5) 1.66 4.79 -8.76 1 5 0 52 288.395 6 ↓
Lo Low (pH 4.5-6) 1.66 6.79 -85.34 3 5 2 58 290.411 6 ↓

Analogs

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Popular Name: (1R)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]-N-methyl-propan-1-amine (1R)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 1.66 6.24 -44.21 2 5 1 57 289.403 6 ↓
Hi High (pH 8-9.5) 1.66 4.84 -9.17 1 5 0 52 288.395 6 ↓
Lo Low (pH 4.5-6) 1.66 6.78 -87.11 3 5 2 58 290.411 6 ↓

Analogs

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Popular Name: (1R)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanol (1R)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 1.95 4.12 -9.52 1 5 0 60 289.379 4 ↓
Lo Low (pH 4.5-6) 1.95 4.68 -38.74 2 5 1 61 290.387 4 ↓

Analogs

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Popular Name: (1S)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanol (1S)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 1.95 3.96 -9.86 1 5 0 60 289.379 4 ↓
Lo Low (pH 4.5-6) 1.95 4.69 -37.5 2 5 1 61 290.387 4 ↓

Analogs

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Popular Name: [1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]methanol [1-[(4-methoxy-3,5-dimethyl-2-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) 1.28 2.17 -12.55 1 5 0 60 247.298 4 ↓
Lo Low (pH 4.5-6) 1.28 2.72 -36.08 2 5 1 61 248.306 4 ↓

Analogs

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Popular Name: (1R)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]ethanol (1R)-1-[1-[(4-methoxy-3,5-dimeth…

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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 2.99 -11.36 1 5 0 60 261.325 4 ↓
Lo Low (pH 4.5-6) 1.50 3.55 -35.11 2 5 1 61 262.333 4 ↓

Analogs

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Popular Name: (1S)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]ethanol (1S)-1-[1-[(4-methoxy-3,5-dimeth…

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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 3.02 -11.31 1 5 0 60 261.325 4 ↓
Lo Low (pH 4.5-6) 1.50 3.57 -35.84 2 5 1 61 262.333 4 ↓

Analogs

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Popular Name: (1S)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]propan-1-ol (1S)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 2.01 4 -10.49 1 5 0 60 275.352 5 ↓
Lo Low (pH 4.5-6) 2.01 4.54 -36.58 2 5 1 61 276.36 5 ↓

Analogs

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Popular Name: (1R)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]propan-1-ol (1R)-1-[1-[(4-methoxy-3,5-dimeth…

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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) 2.01 3.98 -10.37 1 5 0 60 275.352 5 ↓
Lo Low (pH 4.5-6) 2.01 4.53 -35.87 2 5 1 61 276.36 5 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-1-chloroethyl]-3,5-dimethyl-pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethyl-pyridine 2-[[4-[(1R)-1-chloroethyl]-3,5-d…

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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) 3.32 7.59 -7.51 0 4 0 40 307.825 4 ↓
Lo Low (pH 4.5-6) 3.32 8.08 -38.99 1 4 1 41 308.833 4 ↓

Analogs

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Popular Name: 2-[[4-[(1S)-1-chloroethyl]-3,5-dimethyl-pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethyl-pyridine 2-[[4-[(1S)-1-chloroethyl]-3,5-d…

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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) 3.32 7.6 -7.88 0 4 0 40 307.825 4 ↓
Lo Low (pH 4.5-6) 3.32 8.14 -34.39 1 4 1 41 308.833 4 ↓

Analogs

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Popular Name: 2-[[4-(chloromethyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethyl-pyridine 2-[[4-(chloromethyl)pyrazol-1-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) 2.52 6.13 -10.88 0 4 0 40 265.744 4 ↓
Lo Low (pH 4.5-6) 2.52 6.68 -35.93 1 4 1 41 266.752 4 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-1-chloroethyl]pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethyl-pyridine 2-[[4-[(1R)-1-chloroethyl]pyrazo…

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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) 2.88 6.79 -11.2 0 4 0 40 279.771 4 ↓
Lo Low (pH 4.5-6) 2.88 7.34 -35.63 1 4 1 41 280.779 4 ↓

Analogs

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Popular Name: 2-[[4-[(1S)-1-chloroethyl]pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethyl-pyridine 2-[[4-[(1S)-1-chloroethyl]pyrazo…

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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) 2.88 6.79 -11.03 0 4 0 40 279.771 4 ↓
Lo Low (pH 4.5-6) 2.88 7.34 -36.68 1 4 1 41 280.779 4 ↓

Analogs

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Popular Name: 2-[[4-[(1S)-1-chloropropyl]pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethyl-pyridine 2-[[4-[(1S)-1-chloropropyl]pyraz…

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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) 3.38 7.67 -10.24 0 4 0 40 293.798 5 ↓
Lo Low (pH 4.5-6) 3.38 8.22 -37.52 1 4 1 41 294.806 5 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-1-chloropropyl]pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethyl-pyridine 2-[[4-[(1R)-1-chloropropyl]pyraz…

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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) 3.38 7.67 -10.05 0 4 0 40 293.798 5 ↓
Lo Low (pH 4.5-6) 3.38 8.22 -36.63 1 4 1 41 294.806 5 ↓

Analogs

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Popular Name: 2-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrazol-4-yl]ethanamine 2-[1-[(4-methoxy-3,5-dimethyl-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) 0.92 3.67 -52.47 3 5 1 68 261.349 5 ↓
Lo Low (pH 4.5-6) 0.92 4.22 -89.81 4 5 2 69 262.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanamine 2-[1-[(4-methoxy-3,5-dimethyl-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) 1.37 4.59 -48.54 3 5 1 68 289.403 5 ↓
Lo Low (pH 4.5-6) 1.37 5.08 -94.21 4 5 2 69 290.411 5 ↓

Parameters Provided:

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