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Analogs

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Popular Name: (1S)-1-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)-N-methyl-ethanamine (1S)-1-(3-chloro-4-tetrahydropyr…

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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) 3.09 5.97 -45.65 2 3 1 35 270.78 4 ↓

Analogs

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Popular Name: (1R)-1-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)-N-methyl-ethanamine (1R)-1-(3-chloro-4-tetrahydropyr…

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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) 3.09 5.97 -45.56 2 3 1 35 270.78 4 ↓

Analogs

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Popular Name: (1S)-1-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)-N-ethyl-ethanamine (1S)-1-(3-chloro-4-tetrahydropyr…

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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) 3.47 6.81 -44.29 2 3 1 35 284.807 5 ↓

Analogs

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Popular Name: (1R)-1-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)-N-ethyl-ethanamine (1R)-1-(3-chloro-4-tetrahydropyr…

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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) 3.47 6.8 -44.13 2 3 1 35 284.807 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)ethyl]propan-1-amine N-[(1S)-1-(3-chloro-4-tetrahydro…

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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) 3.97 7.57 -45.16 2 3 1 35 298.834 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)ethyl]propan-1-amine N-[(1R)-1-(3-chloro-4-tetrahydro…

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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) 3.97 7.56 -45.02 2 3 1 35 298.834 6 ↓

Analogs

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Popular Name: (1S)-1-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)ethanamine (1S)-1-(3-chloro-4-tetrahydropyr…

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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) 0.84 4.19 -51.32 3 3 1 46 256.753 3 ↓
Hi High (pH 8-9.5) 0.84 3.86 -5.39 2 3 0 44 255.745 3 ↓

Analogs

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Popular Name: (1R)-1-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)ethanamine (1R)-1-(3-chloro-4-tetrahydropyr…

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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) 0.84 4.19 -51.17 3 3 1 46 256.753 3 ↓
Hi High (pH 8-9.5) 0.84 3.86 -5.04 2 3 0 44 255.745 3 ↓

Analogs

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Popular Name: (1S)-1-(3-bromo-4-tetrahydropyran-4-yloxy-phenyl)-N-methyl-ethanamine (1S)-1-(3-bromo-4-tetrahydropyra…

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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 6.07 -45.59 2 3 1 35 315.231 4 ↓
Hi High (pH 8-9.5) 3.22 4.9 -4.24 1 3 0 30 314.223 4 ↓

Analogs

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Popular Name: (1R)-1-(3-bromo-4-tetrahydropyran-4-yloxy-phenyl)-N-methyl-ethanamine (1R)-1-(3-bromo-4-tetrahydropyra…

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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 6.08 -45.44 2 3 1 35 315.231 4 ↓
Hi High (pH 8-9.5) 3.22 4.9 -4.98 1 3 0 30 314.223 4 ↓

Analogs

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Popular Name: (1S)-1-(3-bromo-4-tetrahydropyran-4-yloxy-phenyl)-N-ethyl-ethanamine (1S)-1-(3-bromo-4-tetrahydropyra…

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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) 3.60 6.92 -44.15 2 3 1 35 329.258 5 ↓

Analogs

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Popular Name: (1R)-1-(3-bromo-4-tetrahydropyran-4-yloxy-phenyl)-N-ethyl-ethanamine (1R)-1-(3-bromo-4-tetrahydropyra…

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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) 3.60 6.91 -44.07 2 3 1 35 329.258 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromo-4-tetrahydropyran-4-yloxy-phenyl)ethyl]propan-1-amine N-[(1S)-1-(3-bromo-4-tetrahydrop…

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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) 4.10 7.68 -45.14 2 3 1 35 343.285 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromo-4-tetrahydropyran-4-yloxy-phenyl)ethyl]propan-1-amine N-[(1R)-1-(3-bromo-4-tetrahydrop…

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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) 4.10 7.67 -44.91 2 3 1 35 343.285 6 ↓

Analogs

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Popular Name: (1S)-1-(3-bromo-4-tetrahydropyran-4-yloxy-phenyl)ethanamine (1S)-1-(3-bromo-4-tetrahydropyra…

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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 4.3 -51.24 3 3 1 46 301.204 3 ↓
Hi High (pH 8-9.5) 0.97 3.98 -5.3 2 3 0 44 300.196 3 ↓

Analogs

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Popular Name: (1R)-1-(3-bromo-4-tetrahydropyran-4-yloxy-phenyl)ethanamine (1R)-1-(3-bromo-4-tetrahydropyra…

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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 4.3 -51.07 3 3 1 46 301.204 3 ↓
Hi High (pH 8-9.5) 0.97 3.97 -5 2 3 0 44 300.196 3 ↓

Analogs

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Popular Name: 5-nitro-2-tetrahydropyran-4-yloxy-aniline 5-nitro-2-tetrahydropyran-4-ylox…

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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) 1.74 3.58 -7.22 2 6 0 90 238.243 3 ↓

Analogs

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Popular Name: (5-chloro-2-tetrahydropyran-4-yloxy-phenyl)methanamine (5-chloro-2-tetrahydropyran-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) 2.16 3.48 -43.7 3 3 1 46 242.726 3 ↓
Hi High (pH 8-9.5) 2.16 3.06 -4.07 2 3 0 44 241.718 3 ↓

Analogs

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Popular Name: 5-chloro-2-tetrahydropyran-4-yloxy-benzenecarbothioamide 5-chloro-2-tetrahydropyran-4-ylo…

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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) 2.77 4.96 -12.47 2 3 0 44 271.769 3 ↓

Analogs

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Popular Name: 5-chloro-2-tetrahydropyran-4-yloxy-benzonitrile 5-chloro-2-tetrahydropyran-4-ylo…

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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) 2.73 5.8 -8.1 0 3 0 42 237.686 2 ↓

Analogs

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Popular Name: 5-chloro-2-tetrahydropyran-4-yloxy-benzamidine 5-chloro-2-tetrahydropyran-4-ylo…

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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) 1.36 3.02 -31.68 4 4 1 70 255.725 3 ↓

Analogs

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Popular Name: 5-chloro-N'-hydroxy-2-tetrahydropyran-4-yloxy-benzamidine 5-chloro-N'-hydroxy-2-tetrahydro…

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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) 1.29 1.92 -8.37 3 5 0 77 270.716 3 ↓
Lo Low (pH 4.5-6) 1.29 1.89 -32.59 4 5 1 79 271.724 3 ↓

Analogs

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Popular Name: (2-chloro-6-tetrahydropyran-4-yloxy-phenyl)methanamine (2-chloro-6-tetrahydropyran-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) 2.13 3.38 -37.9 3 3 1 46 242.726 3 ↓
Hi High (pH 8-9.5) 2.13 2.98 -4.67 2 3 0 44 241.718 3 ↓

Analogs

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Popular Name: 2-chloro-6-tetrahydropyran-4-yloxy-benzamidine 2-chloro-6-tetrahydropyran-4-ylo…

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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) 1.34 2.7 -28.41 4 4 1 70 255.725 3 ↓

Analogs

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Popular Name: 2-chloro-N'-hydroxy-6-tetrahydropyran-4-yloxy-benzamidine 2-chloro-N'-hydroxy-6-tetrahydro…

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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) 1.26 1.56 -9.45 3 5 0 77 270.716 3 ↓

Analogs

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Popular Name: 2-chloro-6-tetrahydropyran-4-yloxy-benzenecarbothioamide 2-chloro-6-tetrahydropyran-4-ylo…

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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 4.56 -13.75 2 3 0 44 271.769 3 ↓

Analogs

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Popular Name: 2-chloro-6-tetrahydropyran-4-yloxy-benzonitrile 2-chloro-6-tetrahydropyran-4-ylo…

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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) 2.70 5.72 -10.64 0 3 0 42 237.686 2 ↓

Analogs

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Popular Name: (3-chloro-4-tetrahydropyran-4-yloxy-phenyl)methanamine (3-chloro-4-tetrahydropyran-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) 2.16 3.46 -51.1 3 3 1 46 242.726 3 ↓
Hi High (pH 8-9.5) 2.16 3.06 -5.08 2 3 0 44 241.718 3 ↓

Analogs

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Popular Name: (3-tetrahydropyran-4-yloxyphenyl)methanamine (3-tetrahydropyran-4-yloxyphenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 2.91 -45.41 3 3 1 46 208.281 3 ↓
Hi High (pH 8-9.5) 1.53 2.51 -4.46 2 3 0 44 207.273 3 ↓

Analogs

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Popular Name: 2-(4-tetrahydropyran-4-yloxyphenyl)ethanamine 2-(4-tetrahydropyran-4-yloxyphen…

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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 3.69 -48.29 3 3 1 46 222.308 4 ↓

Analogs

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Popular Name: (2-fluoro-6-tetrahydropyran-4-yloxy-phenyl)methanamine (2-fluoro-6-tetrahydropyran-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) 1.62 2.99 -38.78 3 3 1 46 226.271 3 ↓
Hi High (pH 8-9.5) 1.62 2.59 -5.25 2 3 0 44 225.263 3 ↓

Analogs

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Popular Name: 3-tetrahydropyran-4-yloxyaniline 3-tetrahydropyran-4-yloxyaniline

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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) 1.42 2.74 -5.08 2 3 0 44 193.246 2 ↓

Analogs

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Popular Name: 5-methoxy-2-tetrahydropyran-4-yloxy-aniline 5-methoxy-2-tetrahydropyran-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) 1.84 2.15 -5.5 2 4 0 54 223.272 3 ↓
Lo Low (pH 4.5-6) 1.84 2.04 -39.01 3 4 1 55 224.28 3 ↓

Analogs

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Popular Name: 4-methyl-2-tetrahydropyran-4-yloxy-aniline 4-methyl-2-tetrahydropyran-4-ylo…

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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) 2.23 3.54 -4.35 2 3 0 44 207.273 2 ↓
Lo Low (pH 4.5-6) 2.23 3.42 -38.19 3 3 1 46 208.281 2 ↓

Analogs

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Popular Name: 4-methoxy-3-tetrahydropyran-4-yloxy-aniline 4-methoxy-3-tetrahydropyran-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) 1.03 2.63 -7.72 2 4 0 54 223.272 3 ↓

Analogs

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Popular Name: 3-bromo-5-chloro-2-tetrahydropyran-4-yloxy-aniline 3-bromo-5-chloro-2-tetrahydropyr…

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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 4.02 -4.17 2 3 0 44 306.587 2 ↓

Analogs

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Popular Name: 3-bromo-5-fluoro-2-tetrahydropyran-4-yloxy-aniline 3-bromo-5-fluoro-2-tetrahydropyr…

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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) 2.68 3.58 -4.38 2 3 0 44 290.132 2 ↓

Analogs

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Popular Name: 2-methyl-3-tetrahydropyran-4-yloxy-aniline 2-methyl-3-tetrahydropyran-4-ylo…

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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) 2.20 3.6 -4.98 2 3 0 44 207.273 2 ↓

Analogs

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Popular Name: 2-methyl-6-tetrahydropyran-4-yloxy-aniline 2-methyl-6-tetrahydropyran-4-ylo…

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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) 2.20 3.64 -4.39 2 3 0 44 207.273 2 ↓
Lo Low (pH 4.5-6) 2.20 3.53 -36.53 3 3 1 46 208.281 2 ↓

Analogs

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Popular Name: 4-methyl-3-tetrahydropyran-4-yloxy-aniline 4-methyl-3-tetrahydropyran-4-ylo…

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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) 1.82 3.49 -4.95 2 3 0 44 207.273 2 ↓

Analogs

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Popular Name: 2-fluoro-4-tetrahydropyran-4-yloxy-aniline 2-fluoro-4-tetrahydropyran-4-ylo…

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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 2.83 -5.61 2 3 0 44 211.236 2 ↓

Analogs

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Popular Name: 2-chloro-4-tetrahydropyran-4-yloxy-aniline 2-chloro-4-tetrahydropyran-4-ylo…

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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 3.32 -5 2 3 0 44 227.691 2 ↓

Analogs

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Popular Name: 3-methoxy-4-tetrahydropyran-4-yloxy-aniline 3-methoxy-4-tetrahydropyran-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) 1.03 2.64 -7.7 2 4 0 54 223.272 3 ↓
Lo Low (pH 4.5-6) 1.03 2.49 -50.41 3 4 1 55 224.28 3 ↓

Analogs

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Popular Name: 4-chloro-2-tetrahydropyran-4-yloxy-aniline 4-chloro-2-tetrahydropyran-4-ylo…

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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 3.38 -3.92 2 3 0 44 227.691 2 ↓

Analogs

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Popular Name: 2,5-dimethyl-4-tetrahydropyran-4-yloxy-aniline 2,5-dimethyl-4-tetrahydropyran-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) 2.60 4.25 -5.01 2 3 0 44 221.3 2 ↓
Lo Low (pH 4.5-6) 2.60 4.12 -44.56 3 3 1 46 222.308 2 ↓

Analogs

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Popular Name: 2,5-difluoro-4-tetrahydropyran-4-yloxy-aniline 2,5-difluoro-4-tetrahydropyran-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) 2.04 2.9 -5.43 2 3 0 44 229.226 2 ↓

Analogs

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Popular Name: (1S)-1-(3-tetrahydropyran-4-yloxyphenyl)ethanamine (1S)-1-(3-tetrahydropyran-4-ylox…

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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) 0.21 3.63 -48.27 3 3 1 46 222.308 3 ↓
Hi High (pH 8-9.5) 0.21 3.29 -4.7 2 3 0 44 221.3 3 ↓

Analogs

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Popular Name: (1R)-1-(3-tetrahydropyran-4-yloxyphenyl)ethanamine (1R)-1-(3-tetrahydropyran-4-ylox…

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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) 0.21 3.63 -48.33 3 3 1 46 222.308 3 ↓
Hi High (pH 8-9.5) 0.21 3.33 -4.1 2 3 0 44 221.3 3 ↓

Analogs

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Popular Name: (5-bromo-2-tetrahydropyran-4-yloxy-phenyl)methanamine (5-bromo-2-tetrahydropyran-4-ylo…

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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 3.59 -43.7 3 3 1 46 287.177 3 ↓
Hi High (pH 8-9.5) 2.29 3.16 -4.01 2 3 0 44 286.169 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(3-tetrahydropyran-4-yloxyphenyl)methanamine N-methyl-1-(3-tetrahydropyran-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) 1.90 4.78 -40.25 2 3 1 35 222.308 4 ↓
Hi High (pH 8-9.5) 1.90 3.33 -4.16 1 3 0 30 221.3 4 ↓

Parameters Provided:

ring.id = 3968
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 = 3968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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