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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(dimethylamino)-2-oxo-ethyl]-3,5-dimethyl-4-(3-pyridylmethoxy)benzamide N-[2-(dimethylamino)-2-oxo-ethyl…

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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 6.27 -12.98 1 6 0 72 341.411 6 ↓
Lo Low (pH 4.5-6) 1.21 6.71 -44.77 2 6 1 73 342.419 6 ↓

Analogs

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Popular Name: (E)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-3-[4-(3-pyridylmethoxy)phenyl]prop-2-enamide (E)-N-[2-oxo-2-(prop-2-ynylamino…

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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 5.3 -13.36 2 6 0 80 349.39 8 ↓
Lo Low (pH 4.5-6) 1.95 5.77 -43.1 3 6 1 82 350.398 8 ↓

Analogs

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Popular Name: (1S)-1-[2-(3-pyridylmethoxy)phenyl]propan-1-ol (1S)-1-[2-(3-pyridylmethoxy)phen…

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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) 2.37 5.2 -7.13 1 3 0 42 243.306 5 ↓
Lo Low (pH 4.5-6) 2.37 5.66 -36.05 2 3 1 44 244.314 5 ↓

Analogs

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Popular Name: (1R)-1-[2-(3-pyridylmethoxy)phenyl]propan-1-ol (1R)-1-[2-(3-pyridylmethoxy)phen…

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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) 2.37 5.19 -7.42 1 3 0 42 243.306 5 ↓
Lo Low (pH 4.5-6) 2.37 5.66 -35.64 2 3 1 44 244.314 5 ↓

Analogs

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Popular Name: (1S)-1-[4-(3-pyridylmethoxy)phenyl]ethanol (1S)-1-[4-(3-pyridylmethoxy)phen…

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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) 1.92 4.19 -8.05 1 3 0 42 229.279 4 ↓
Lo Low (pH 4.5-6) 1.92 4.66 -36.5 2 3 1 44 230.287 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(3-pyridylmethoxy)phenyl]ethanol (1R)-1-[4-(3-pyridylmethoxy)phen…

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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) 1.92 4.14 -8.02 1 3 0 42 229.279 4 ↓
Lo Low (pH 4.5-6) 1.92 4.61 -36.66 2 3 1 44 230.287 4 ↓

Analogs

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Popular Name: (1S)-1-[3-methoxy-4-(3-pyridylmethoxy)phenyl]ethanol (1S)-1-[3-methoxy-4-(3-pyridylme…

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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) 1.51 4.07 -9.91 1 4 0 52 259.305 5 ↓
Lo Low (pH 4.5-6) 1.51 4.54 -36.67 2 4 1 53 260.313 5 ↓

Analogs

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Popular Name: (1R)-1-[3-methoxy-4-(3-pyridylmethoxy)phenyl]ethanol (1R)-1-[3-methoxy-4-(3-pyridylme…

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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) 1.51 4.04 -10 1 4 0 52 259.305 5 ↓
Lo Low (pH 4.5-6) 1.51 4.5 -36.59 2 4 1 53 260.313 5 ↓

Analogs

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Popular Name: (1S)-1-[2-(3-pyridylmethoxy)phenyl]ethanol (1S)-1-[2-(3-pyridylmethoxy)phen…

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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 4.28 -7.31 1 3 0 42 229.279 4 ↓
Lo Low (pH 4.5-6) 1.87 4.75 -37.61 2 3 1 44 230.287 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(3-pyridylmethoxy)phenyl]ethanol (1R)-1-[2-(3-pyridylmethoxy)phen…

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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 4.27 -7.43 1 3 0 42 229.279 4 ↓
Lo Low (pH 4.5-6) 1.87 4.74 -37.35 2 3 1 44 230.287 4 ↓

Analogs

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Popular Name: (2S)-4-[4-(3-pyridylmethoxy)phenyl]butan-2-ol (2S)-4-[4-(3-pyridylmethoxy)phen…

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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) 2.78 5.7 -7.31 1 3 0 42 257.333 6 ↓
Lo Low (pH 4.5-6) 2.78 6.18 -35.54 2 3 1 44 258.341 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[4-(3-pyridylmethoxy)phenyl]butan-2-ol (2R)-4-[4-(3-pyridylmethoxy)phen…

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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) 2.78 5.7 -7.61 1 3 0 42 257.333 6 ↓
Lo Low (pH 4.5-6) 2.78 6.17 -36.09 2 3 1 44 258.341 6 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-pyridylmethoxy)phenyl]ethanol (1S)-1-[3-(3-pyridylmethoxy)phen…

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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) 1.89 4.17 -7.62 1 3 0 42 229.279 4 ↓
Lo Low (pH 4.5-6) 1.89 4.64 -36.81 2 3 1 44 230.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-(3-pyridylmethoxy)phenyl]ethanol (1R)-1-[3-(3-pyridylmethoxy)phen…

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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) 1.89 4.13 -7.73 1 3 0 42 229.279 4 ↓
Lo Low (pH 4.5-6) 1.89 4.61 -36.72 2 3 1 44 230.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(3-pyridylmethoxy)phenyl]propan-1-ol (1S)-1-[4-(3-pyridylmethoxy)phen…

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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) 2.42 5.1 -7.21 1 3 0 42 243.306 5 ↓
Lo Low (pH 4.5-6) 2.42 5.57 -35.88 2 3 1 44 244.314 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(3-pyridylmethoxy)phenyl]propan-1-ol (1R)-1-[4-(3-pyridylmethoxy)phen…

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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) 2.42 5.06 -7.13 1 3 0 42 243.306 5 ↓
Lo Low (pH 4.5-6) 2.42 5.53 -36.03 2 3 1 44 244.314 5 ↓

Analogs

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Popular Name: 1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethanone 1-[5-methyl-2-(3-pyridylmethoxy)…

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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) 2.69 5.37 -9.81 1 4 0 55 256.305 4 ↓
Lo Low (pH 4.5-6) 2.69 5.83 -36.41 2 4 1 56 257.313 4 ↓

Analogs

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Popular Name: (1R)-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethanamine (1R)-1-[5-methyl-2-(3-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) 0.59 5.51 -43.83 3 3 1 50 243.33 4 ↓
Lo Low (pH 4.5-6) 0.59 5.98 -90.13 4 3 2 51 244.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethanamine (1S)-1-[5-methyl-2-(3-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) 0.59 5.53 -44.38 3 3 1 50 243.33 4 ↓
Lo Low (pH 4.5-6) 0.59 6 -89.6 4 3 2 51 244.338 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethanamine (1R)-N-methyl-1-[5-methyl-2-(3-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) 2.85 7.33 -38.61 2 3 1 39 257.357 5 ↓
Lo Low (pH 4.5-6) 2.85 7.8 -85.01 3 3 2 40 258.365 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethanamine (1S)-N-methyl-1-[5-methyl-2-(3-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) 2.85 7.35 -39.02 2 3 1 39 257.357 5 ↓
Lo Low (pH 4.5-6) 2.85 7.82 -84.5 3 3 2 40 258.365 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethanamine (1S)-N-ethyl-1-[5-methyl-2-(3-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) 3.22 8.19 -37.32 2 3 1 39 271.384 6 ↓
Lo Low (pH 4.5-6) 3.22 8.65 -83.66 3 3 2 40 272.392 6 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethanamine (1R)-N-ethyl-1-[5-methyl-2-(3-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) 3.22 8.17 -36.91 2 3 1 39 271.384 6 ↓
Lo Low (pH 4.5-6) 3.22 8.63 -84.18 3 3 2 40 272.392 6 ↓

Analogs

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Popular Name: N-[(1S)-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethyl]propan-1-amine N-[(1S)-1-[5-methyl-2-(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) 3.73 8.95 -37.99 2 3 1 39 285.411 7 ↓
Lo Low (pH 4.5-6) 3.73 9.42 -84.67 3 3 2 40 286.419 7 ↓

Analogs

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Popular Name: N-[(1R)-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethyl]propan-1-amine N-[(1R)-1-[5-methyl-2-(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) 3.73 8.92 -37.61 2 3 1 39 285.411 7 ↓
Lo Low (pH 4.5-6) 3.73 9.4 -85.18 3 3 2 40 286.419 7 ↓

Analogs

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Popular Name: (1R)-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethanol (1R)-1-[5-methyl-2-(3-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) 2.29 5.03 -7.41 1 3 0 42 243.306 4 ↓
Lo Low (pH 4.5-6) 2.29 5.5 -35.76 2 3 1 44 244.314 4 ↓

Analogs

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Popular Name: (1S)-1-[5-methyl-2-(3-pyridylmethoxy)phenyl]ethanol (1S)-1-[5-methyl-2-(3-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) 2.29 5.04 -7.17 1 3 0 42 243.306 4 ↓
Lo Low (pH 4.5-6) 2.29 5.51 -36.16 2 3 1 44 244.314 4 ↓

Analogs

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Popular Name: (2R)-2-(4-propylphenoxy)-2-(3-pyridyl)ethanamine (2R)-2-(4-propylphenoxy)-2-(3-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) 2.45 6.52 -48.54 3 3 1 50 257.357 6 ↓
Hi High (pH 8-9.5) 2.45 6.17 -6.88 2 3 0 48 256.349 6 ↓

Analogs

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Popular Name: (2S)-2-(4-propylphenoxy)-2-(3-pyridyl)ethanamine (2S)-2-(4-propylphenoxy)-2-(3-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) 2.45 6.47 -47.85 3 3 1 50 257.357 6 ↓
Hi High (pH 8-9.5) 2.45 6.17 -5.12 2 3 0 48 256.349 6 ↓

Analogs

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Popular Name: (1S,2R)-1-(4-propylphenoxy)-1-(3-pyridyl)propan-2-amine (1S,2R)-1-(4-propylphenoxy)-1-(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) 2.85 6.66 -48.83 3 3 1 50 271.384 6 ↓
Hi High (pH 8-9.5) 2.85 6.6 -5.5 2 3 0 48 270.376 6 ↓

Analogs

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Popular Name: (1R,2R)-1-(4-propylphenoxy)-1-(3-pyridyl)propan-2-amine (1R,2R)-1-(4-propylphenoxy)-1-(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) 2.85 7.03 -45.56 3 3 1 50 271.384 6 ↓
Hi High (pH 8-9.5) 2.85 6.48 -5.24 2 3 0 48 270.376 6 ↓

Analogs

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Popular Name: (1S,2S)-1-(4-propylphenoxy)-1-(3-pyridyl)propan-2-amine (1S,2S)-1-(4-propylphenoxy)-1-(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) 2.85 7.01 -44.47 3 3 1 50 271.384 6 ↓
Hi High (pH 8-9.5) 2.85 6.58 -5.62 2 3 0 48 270.376 6 ↓

Analogs

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Popular Name: (1R,2S)-1-(4-propylphenoxy)-1-(3-pyridyl)propan-2-amine (1R,2S)-1-(4-propylphenoxy)-1-(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) 2.85 6.72 -49.68 3 3 1 50 271.384 6 ↓
Hi High (pH 8-9.5) 2.85 6.75 -4.71 2 3 0 48 270.376 6 ↓

Analogs

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Popular Name: (1S,2R)-1-(4-propylphenoxy)-1-(3-pyridyl)butan-2-amine (1S,2R)-1-(4-propylphenoxy)-1-(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) 3.39 7.49 -48.49 3 3 1 50 285.411 7 ↓
Hi High (pH 8-9.5) 3.39 7.41 -4.54 2 3 0 48 284.403 7 ↓
Lo Low (pH 4.5-6) 3.39 8.2 -102.2 4 3 2 51 286.419 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(4-propylphenoxy)-1-(3-pyridyl)butan-2-amine (1R,2R)-1-(4-propylphenoxy)-1-(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) 3.39 7.82 -45.03 3 3 1 50 285.411 7 ↓
Hi High (pH 8-9.5) 3.39 7.38 -5.39 2 3 0 48 284.403 7 ↓
Lo Low (pH 4.5-6) 3.39 8.13 -104.69 4 3 2 51 286.419 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(4-propylphenoxy)-1-(3-pyridyl)butan-2-amine (1S,2S)-1-(4-propylphenoxy)-1-(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) 3.39 7.79 -44 3 3 1 50 285.411 7 ↓
Hi High (pH 8-9.5) 3.39 7.29 -4.97 2 3 0 48 284.403 7 ↓
Lo Low (pH 4.5-6) 3.39 8.14 -103.92 4 3 2 51 286.419 7 ↓

Analogs

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Popular Name: (1R,2S)-1-(4-propylphenoxy)-1-(3-pyridyl)butan-2-amine (1R,2S)-1-(4-propylphenoxy)-1-(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) 3.39 7.5 -49.31 3 3 1 50 285.411 7 ↓
Hi High (pH 8-9.5) 3.39 7.45 -5.35 2 3 0 48 284.403 7 ↓
Lo Low (pH 4.5-6) 3.39 8.29 -103.04 4 3 2 51 286.419 7 ↓

Analogs

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Popular Name: 2-chloro-5-[(4-propylphenoxy)methyl]pyridine 2-chloro-5-[(4-propylphenoxy)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) 4.68 8.63 -6.03 0 2 0 22 261.752 5 ↓

Analogs

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Popular Name: 2-chloro-3-[(4-propylphenoxy)methyl]pyridine 2-chloro-3-[(4-propylphenoxy)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) 4.62 8.72 -5.17 0 2 0 22 261.752 5 ↓

Analogs

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Popular Name: 5-[(4-propylphenoxy)methyl]pyridin-2-amine 5-[(4-propylphenoxy)methyl]pyrid…

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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) 3.48 6.95 -6.21 2 3 0 48 242.322 5 ↓
Mid Mid (pH 6-8) 3.48 7.42 -31.59 3 3 1 49 243.33 5 ↓

Analogs

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Popular Name: N-methyl-5-[(4-propylphenoxy)methyl]pyridin-2-amine N-methyl-5-[(4-propylphenoxy)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) 3.86 7.86 -6.29 1 3 0 34 256.349 6 ↓
Mid Mid (pH 6-8) 3.86 8.33 -30.13 2 3 1 35 257.357 6 ↓

Analogs

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Popular Name: N-ethyl-5-[(4-propylphenoxy)methyl]pyridin-2-amine N-ethyl-5-[(4-propylphenoxy)meth…

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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) 4.23 8.66 -5.93 1 3 0 34 270.376 7 ↓
Mid Mid (pH 6-8) 4.23 9.13 -29.78 2 3 1 35 271.384 7 ↓

Analogs

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Popular Name: N-ethyl-3-[(4-propylphenoxy)methyl]pyridin-2-amine N-ethyl-3-[(4-propylphenoxy)meth…

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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) 4.18 9.17 -5.61 1 3 0 34 270.376 7 ↓
Mid Mid (pH 6-8) 4.18 9.54 -30.24 2 3 1 35 271.384 7 ↓

Analogs

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Popular Name: N-methyl-3-[(4-propylphenoxy)methyl]pyridin-2-amine N-methyl-3-[(4-propylphenoxy)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) 3.80 8.34 -6.01 1 3 0 34 256.349 6 ↓
Mid Mid (pH 6-8) 3.80 8.72 -30.53 2 3 1 35 257.357 6 ↓

Analogs

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Popular Name: 3-[(4-propylphenoxy)methyl]pyridin-2-amine 3-[(4-propylphenoxy)methyl]pyrid…

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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) 3.43 7.16 -5.76 2 3 0 48 242.322 5 ↓
Mid Mid (pH 6-8) 3.43 7.63 -32.41 3 3 1 49 243.33 5 ↓

Analogs

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Popular Name: [3-[(4-propylphenoxy)methyl]-2-pyridyl]hydrazine [3-[(4-propylphenoxy)methyl]-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) 3.19 7.04 -6.63 3 4 0 60 257.337 6 ↓
Lo Low (pH 4.5-6) 3.19 7.52 -30.59 4 4 1 61 258.345 6 ↓

Analogs

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Popular Name: [5-[(4-propylphenoxy)methyl]-2-pyridyl]hydrazine [5-[(4-propylphenoxy)methyl]-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) 3.24 6.85 -7.41 3 4 0 60 257.337 6 ↓
Lo Low (pH 4.5-6) 3.24 7.33 -30.13 4 4 1 61 258.345 6 ↓

Analogs

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Popular Name: 4-methyl-2-(3-pyridylmethoxy)aniline 4-methyl-2-(3-pyridylmethoxy)ani…

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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) 2.21 4.63 -6.51 2 3 0 48 214.268 3 ↓
Lo Low (pH 4.5-6) 2.21 5.07 -37.08 3 3 1 49 215.276 3 ↓

Analogs

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Popular Name: N'-hydroxy-3-(pyridin-3-ylmethoxy)benzene-1-carboximidamide N'-hydroxy-3-(pyridin-3-ylmethox…

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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) 0.77 2.71 -34.1 4 5 1 80 244.274 5 ↓
Ref Reference (pH 7) 0.64 2.88 -11.48 3 5 0 81 243.266 4 ↓
Lo Low (pH 4.5-6) 0.64 3.13 -40.43 4 5 1 82 244.274 4 ↓

Analogs

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Popular Name: 1-[4-(3-pyridylmethoxy)phenyl]propan-1-one 1-[4-(3-pyridylmethoxy)phenyl]pr…

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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) 2.75 7.29 -11.09 0 3 0 39 241.29 5 ↓
Lo Low (pH 4.5-6) 2.75 7.73 -43.67 1 3 1 40 242.298 5 ↓

Parameters Provided:

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