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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1-methylpyrazol-4-yl)methyl]-1-(3-pyridyl)ethanamine (1R)-N-[(1-methylpyrazol-4-yl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 4.99 -47.04 2 4 1 47 217.296 4 ↓
Hi High (pH 8-9.5) 0.60 3.75 -8.47 1 4 0 43 216.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1-methylpyrazol-4-yl)methyl]-1-(3-pyridyl)ethanamine (1S)-N-[(1-methylpyrazol-4-yl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 4.99 -47.39 2 4 1 47 217.296 4 ↓
Hi High (pH 8-9.5) 0.60 3.73 -8.01 1 4 0 43 216.288 4 ↓

Analogs

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Popular Name: (1R)-1-(3-pyridyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (1R)-1-(3-pyridyl)-N-[(1,3,5-tri…

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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) 1.04 5.98 -47.45 2 4 1 47 245.35 4 ↓
Hi High (pH 8-9.5) 1.04 4.71 -8.47 1 4 0 43 244.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-pyridyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (1S)-1-(3-pyridyl)-N-[(1,3,5-tri…

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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) 1.04 5.98 -46.93 2 4 1 47 245.35 4 ↓
Hi High (pH 8-9.5) 1.04 4.74 -8.98 1 4 0 43 244.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 4.58 -46.18 3 4 1 58 231.323 4 ↓
Hi High (pH 8-9.5) 0.97 3.48 -8.73 2 4 0 54 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 4.58 -46.23 3 4 1 58 231.323 4 ↓
Hi High (pH 8-9.5) 0.97 3.46 -7.87 2 4 0 54 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-pyridylmethyl)methanamine 1-(3,5-dimethyl-1H-pyrazol-4-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) 0.41 3.97 -49.9 3 4 1 58 217.296 4 ↓
Mid Mid (pH 6-8) 0.41 2.61 -8.81 2 4 0 54 216.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(6-methoxy-3-pyridyl)methyl]methanamine 1-(3,5-dimethyl-1H-pyrazol-4-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) 0.81 2.45 -52.94 3 5 1 67 247.322 5 ↓
Mid Mid (pH 6-8) 0.81 1.08 -9.56 2 5 0 63 246.314 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1-(6-methyl-3-pyridyl)methanamine N-[(3-isopropyl-1-methyl-pyrazol…

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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 6.72 -50.85 2 4 1 47 259.377 5 ↓
Mid Mid (pH 6-8) 1.37 5.35 -9.08 1 4 0 43 258.369 5 ↓
Lo Low (pH 4.5-6) 1.37 7.15 -111.97 3 4 2 49 260.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6-methyl-3-pyridyl)methanamine N-[(1-tert-butylpyrazol-4-yl)met…

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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) 1.27 6.89 -48.34 2 4 1 47 259.377 5 ↓
Mid Mid (pH 6-8) 1.27 5.54 -7.85 1 4 0 43 258.369 5 ↓
Lo Low (pH 4.5-6) 1.27 7.33 -108.04 3 4 2 49 260.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methylamino]methyl]-N,N-dimethyl-pyridin-2-amine 3-[[(5-methoxy-1,3-dimethyl-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) 0.83 5.91 -97.74 3 6 2 61 291.399 6 ↓
Hi High (pH 8-9.5) 0.83 4.01 -9.63 1 6 0 55 289.383 6 ↓
Mid Mid (pH 6-8) 0.83 5.22 -44.83 2 6 1 60 290.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(trifluoromethyl)-3-pyridyl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[[6-(trifluoromethyl)-3-pyridy…

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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) 2.36 6.55 -8.88 0 4 0 34 340.393 6 ↓
Mid Mid (pH 6-8) 2.36 8.53 -50.59 1 4 1 35 341.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-1-(2-methoxy-4,6-dimethyl-3-pyridyl)methanamine N-[(1-allyl-3-methyl-pyrazol-4-y…

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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 6.01 -45.16 2 5 1 57 301.414 7 ↓
Mid Mid (pH 6-8) 2.06 4.61 -10.37 1 5 0 52 300.406 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(3-pyridylmethyl)propan-1-amine N-[(5-chloro-1,3-dimethyl-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) 2.18 8.1 -41.07 1 4 1 35 293.822 6 ↓
Mid Mid (pH 6-8) 2.18 6.02 -5.92 0 4 0 34 292.814 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-1-(2-ethoxy-3-pyridyl)methanamine N-[(1-allyl-3-methyl-pyrazol-4-y…

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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 5.77 -44.87 2 5 1 57 287.387 8 ↓
Mid Mid (pH 6-8) 1.62 4.36 -8.84 1 5 0 52 286.379 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(3-pyridylmethyl)propan-1-amine N-[(1-tert-butyl-3,5-dimethyl-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) 2.79 9.96 -40.63 1 4 1 35 315.485 7 ↓
Mid Mid (pH 6-8) 2.79 7.75 -7.4 0 4 0 34 314.477 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.08 5.33 -9.88 0 5 0 43 302.422 8 ↓
Mid Mid (pH 6-8) 1.08 7.45 -42.06 1 5 1 44 303.43 8 ↓

Analogs

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Popular Name: 4-[[(2-ethoxy-3-pyridyl)methylamino]methyl]-N,N,2,5-tetramethyl-pyrazol-3-amine 4-[[(2-ethoxy-3-pyridyl)methylam…

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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) 1.21 4.36 -27.7 2 6 1 56 304.418 7 ↓
Hi High (pH 8-9.5) 1.21 4.27 -8.34 1 6 0 55 303.41 7 ↓
Lo Low (pH 4.5-6) 1.21 5.74 -95.84 3 6 2 61 305.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[[(6-methyl-3-pyridyl)methylamino]methyl]pyrazol-3-amine 5-isopropyl-N,N,2-trimethyl-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) 1.59 6.83 -27.34 2 5 1 47 302.446 6 ↓
Hi High (pH 8-9.5) 1.59 6.71 -7.6 1 5 0 46 301.438 6 ↓
Lo Low (pH 4.5-6) 1.59 7.27 -68.85 3 5 2 48 303.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[[[(1S)-1-(3-pyridyl)ethyl]amino]methyl]pyrazol-3-amine 5-isopropyl-N,N,2-trimethyl-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) 2.10 7.08 -25.98 2 5 1 47 302.446 6 ↓
Hi High (pH 8-9.5) 2.10 6.94 -6.84 1 5 0 46 301.438 6 ↓
Lo Low (pH 4.5-6) 2.10 8.21 -97.61 3 5 2 52 303.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[[[(1R)-1-(3-pyridyl)ethyl]amino]methyl]pyrazol-3-amine 5-isopropyl-N,N,2-trimethyl-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) 2.10 7.11 -26.98 2 5 1 47 302.446 6 ↓
Hi High (pH 8-9.5) 2.10 6.97 -7.28 1 5 0 46 301.438 6 ↓
Lo Low (pH 4.5-6) 2.10 8.22 -97.46 3 5 2 52 303.454 6 ↓

Analogs

43469514
43469514
43469516
43469516
43469521
43469521
43469523
43469523
43469529
43469529

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(3-pyridyl)ethanamine (1S)-N-[(1-tert-butylpyrazol-4-y…

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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) 1.78 6.9 -45.15 2 4 1 47 259.377 5 ↓
Hi High (pH 8-9.5) 1.78 5.77 -7.24 1 4 0 43 258.369 5 ↓

Analogs

43469514
43469514
43469516
43469516
43469521
43469521
43469523
43469523
43469529
43469529

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(3-pyridyl)ethanamine (1R)-N-[(1-tert-butylpyrazol-4-y…

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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) 1.78 6.89 -45.14 2 4 1 47 259.377 5 ↓
Hi High (pH 8-9.5) 1.78 5.79 -7.65 1 4 0 43 258.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1-(3-pyridyl)ethanamine (1S)-N-[(3-isopropyl-1-methyl-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) 1.87 6.71 -47.1 2 4 1 47 259.377 5 ↓
Hi High (pH 8-9.5) 1.87 5.59 -8.13 1 4 0 43 258.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1-(3-pyridyl)ethanamine (1R)-N-[(3-isopropyl-1-methyl-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) 1.87 6.7 -47.02 2 4 1 47 259.377 5 ↓
Hi High (pH 8-9.5) 1.87 5.61 -8.81 1 4 0 43 258.369 5 ↓

Analogs

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Popular Name: 1-(1-tert-butylpyrazol-4-yl)-N-(3-pyridylmethyl)methanamine 1-(1-tert-butylpyrazol-4-yl)-N-(…

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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 6.28 -48.59 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 1.22 4.93 -8.45 1 4 0 43 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-isopropyl-1-methyl-pyrazol-4-yl)-N-(3-pyridylmethyl)methanamine 1-(3-isopropyl-1-methyl-pyrazol-…

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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 6.11 -50.61 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 1.31 4.74 -8.68 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: 1-(1-tert-butylpyrazol-4-yl)-N-[(6-methoxy-3-pyridyl)methyl]methanamine 1-(1-tert-butylpyrazol-4-yl)-N-[…

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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 4.76 -51.48 2 5 1 57 275.376 6 ↓
Hi High (pH 8-9.5) 1.62 3.4 -9.05 1 5 0 52 274.368 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-isopropyl-1-methyl-pyrazol-4-yl)-N-[(6-methoxy-3-pyridyl)methyl]methanamine 1-(3-isopropyl-1-methyl-pyrazol-…

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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) 1.71 4.58 -53.77 2 5 1 57 275.376 6 ↓
Hi High (pH 8-9.5) 1.71 3.22 -9.39 1 5 0 52 274.368 6 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1R)-N-[(1S)-1-(1,5-dimethylpyra…

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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) 2.58 7.58 -39.95 2 4 1 47 287.431 4 ↓
Hi High (pH 8-9.5) 2.58 7.49 -9.97 1 4 0 43 286.423 4 ↓
Mid Mid (pH 6-8) 2.58 7.96 -94.45 3 4 2 49 288.439 4 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-[(1S)-1-(1,5-dimethylpyra…

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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) 2.58 7.67 -42.11 2 4 1 47 287.431 4 ↓
Hi High (pH 8-9.5) 2.58 7.3 -8.22 1 4 0 43 286.423 4 ↓
Mid Mid (pH 6-8) 2.58 8.05 -94.4 3 4 2 49 288.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1R)-N-[(1R)-1-(1,5-dimethylpyra…

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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) 2.58 7.67 -41.06 2 4 1 47 287.431 4 ↓
Hi High (pH 8-9.5) 2.58 7.28 -9.27 1 4 0 43 286.423 4 ↓
Mid Mid (pH 6-8) 2.58 8.05 -95.06 3 4 2 49 288.439 4 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-[(1R)-1-(1,5-dimethylpyra…

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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) 2.58 7.5 -40.3 2 4 1 47 287.431 4 ↓
Hi High (pH 8-9.5) 2.58 6.98 -8.19 1 4 0 43 286.423 4 ↓
Mid Mid (pH 6-8) 2.58 7.88 -94.43 3 4 2 49 288.439 4 ↓

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Structural Results Found: (before additional filtering)

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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 = 25191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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