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Analogs

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Popular Name: (1S)-1-[3-chloro-4-(cycloheptoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(cycloheptoxy…

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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) 5.13 8.8 -43.16 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 5.13 7.62 -2.69 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(cycloheptoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(cycloheptoxy…

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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) 5.13 8.8 -43.07 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 5.13 7.62 -3.49 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(cycloheptoxy)phenyl]ethanamine (1S)-1-[3-chloro-4-(cycloheptoxy…

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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 7.02 -48.82 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.88 6.69 -3.45 2 2 0 35 267.8 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(cycloheptoxy)phenyl]ethanamine (1R)-1-[3-chloro-4-(cycloheptoxy…

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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 7.01 -48.72 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.88 6.68 -3.69 2 2 0 35 267.8 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(cycloheptoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(cycloheptoxy)…

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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) 3.01 7.13 -48.71 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 3.01 6.81 -3.3 2 2 0 35 312.251 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(cycloheptoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(cycloheptoxy)…

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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) 3.01 7.12 -48.67 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 3.01 6.8 -3.58 2 2 0 35 312.251 3 ↓

Analogs

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Popular Name: 2-(cycloheptoxy)-5-nitro-aniline 2-(cycloheptoxy)-5-nitro-aniline

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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) 3.77 6.43 -5.43 2 5 0 81 250.298 3 ↓

Analogs

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Popular Name: [5-chloro-2-(cycloheptoxy)phenyl]methanamine [5-chloro-2-(cycloheptoxy)phenyl…

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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) 4.20 6.3 -41.31 3 2 1 37 254.781 3 ↓
Hi High (pH 8-9.5) 4.20 5.88 -2.62 2 2 0 35 253.773 3 ↓

Analogs

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Popular Name: 5-chloro-2-(cycloheptoxy)benzenecarbothioamide 5-chloro-2-(cycloheptoxy)benzene…

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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) 4.81 7.79 -10.32 2 2 0 35 283.824 3 ↓

Analogs

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Popular Name: 5-chloro-2-(cycloheptoxy)benzamidine 5-chloro-2-(cycloheptoxy)benzami…

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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) 3.40 5.84 -29.5 4 3 1 61 267.78 3 ↓

Analogs

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Popular Name: 5-chloro-2-(cycloheptoxy)-N'-hydroxy-benzamidine 5-chloro-2-(cycloheptoxy)-N'-hyd…

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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) 3.33 4.77 -6.45 3 4 0 68 282.771 3 ↓

Analogs

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Popular Name: [2-chloro-6-(cycloheptoxy)phenyl]methanamine [2-chloro-6-(cycloheptoxy)phenyl…

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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) 4.17 6.22 -35.84 3 2 1 37 254.781 3 ↓
Hi High (pH 8-9.5) 4.17 5.81 -3.08 2 2 0 35 253.773 3 ↓

Analogs

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Popular Name: 2-chloro-6-(cycloheptoxy)benzamidine 2-chloro-6-(cycloheptoxy)benzami…

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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) 3.37 5.54 -26.17 4 3 1 61 267.78 3 ↓

Analogs

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Popular Name: 2-chloro-6-(cycloheptoxy)-N'-hydroxy-benzamidine 2-chloro-6-(cycloheptoxy)-N'-hyd…

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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) 3.30 4.4 -7.86 3 4 0 68 282.771 3 ↓

Analogs

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Popular Name: 2-chloro-6-(cycloheptoxy)benzenecarbothioamide 2-chloro-6-(cycloheptoxy)benzene…

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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) 4.79 7.39 -12.06 2 2 0 35 283.824 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(4-propylphenoxy)cycloheptanamine (1S,2R)-2-(4-propylphenoxy)cyclo…

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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) 4.07 7.38 -40.99 3 2 1 37 248.39 4 ↓
Hi High (pH 8-9.5) 4.07 7.06 -2.49 2 2 0 35 247.382 4 ↓

Analogs

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Popular Name: (1S,2S)-2-(4-propylphenoxy)cycloheptanamine (1S,2S)-2-(4-propylphenoxy)cyclo…

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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) 4.07 7.45 -39.25 3 2 1 37 248.39 4 ↓
Hi High (pH 8-9.5) 4.07 7.14 -2.61 2 2 0 35 247.382 4 ↓

Analogs

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Popular Name: (1R,2R)-2-(4-propylphenoxy)cycloheptanamine (1R,2R)-2-(4-propylphenoxy)cyclo…

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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) 4.07 7.45 -39.26 3 2 1 37 248.39 4 ↓
Hi High (pH 8-9.5) 4.07 7.11 -2.88 2 2 0 35 247.382 4 ↓

Analogs

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Popular Name: (1R,2S)-2-(4-propylphenoxy)cycloheptanamine (1R,2S)-2-(4-propylphenoxy)cyclo…

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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) 4.07 7.38 -41.01 3 2 1 37 248.39 4 ↓
Hi High (pH 8-9.5) 4.07 7.01 -3.14 2 2 0 35 247.382 4 ↓

Analogs

44100798
44100798
44100800
44100800
44100802
44100802
44100804
44100804

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Popular Name: (1S,2R)-2-(3-isopropylphenoxy)cycloheptan-1-amine (1S,2R)-2-(3-isopropylphenoxy)cy…

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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) 4.25 7.1 -42.05 3 2 1 37 248.39 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(3-isopropylphenoxy)cycloheptan-1-amine (1S,2S)-2-(3-isopropylphenoxy)cy…

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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) 4.25 7.18 -41.11 3 2 1 37 248.39 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(3-isopropylphenoxy)cycloheptan-1-amine (1R,2R)-2-(3-isopropylphenoxy)cy…

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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) 4.25 7.19 -41.1 3 2 1 37 248.39 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(3-isopropylphenoxy)cycloheptan-1-amine (1R,2S)-2-(3-isopropylphenoxy)cy…

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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) 4.25 7.1 -42.05 3 2 1 37 248.39 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[4-(1,1-dimethylpropyl)phenoxy]cycloheptan-1-amine (1S,2R)-2-[4-(1,1-dimethylpropyl…

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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) 4.79 8.01 -41.82 3 2 1 37 276.444 4 ↓

Analogs

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Popular Name: (1S,2S)-2-[4-(1,1-dimethylpropyl)phenoxy]cycloheptan-1-amine (1S,2S)-2-[4-(1,1-dimethylpropyl…

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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) 4.79 8.1 -40.86 3 2 1 37 276.444 4 ↓

Analogs

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Popular Name: (1R,2R)-2-[4-(1,1-dimethylpropyl)phenoxy]cycloheptan-1-amine (1R,2R)-2-[4-(1,1-dimethylpropyl…

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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) 4.79 8.11 -40.88 3 2 1 37 276.444 4 ↓

Analogs

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Popular Name: (1R,2S)-2-[4-(1,1-dimethylpropyl)phenoxy]cycloheptan-1-amine (1R,2S)-2-[4-(1,1-dimethylpropyl…

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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) 4.79 8.02 -41.79 3 2 1 37 276.444 4 ↓

Analogs

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Popular Name: (1R,2S)-2-[2-(trifluoromethyl)phenoxy]cycloheptan-1-amine (1R,2S)-2-[2-(trifluoromethyl)ph…

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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) 3.61 6.27 -40.47 3 2 1 37 274.306 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[2-(trifluoromethyl)phenoxy]cycloheptan-1-amine (1S,2S)-2-[2-(trifluoromethyl)ph…

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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) 3.61 6.34 -39.5 3 2 1 37 274.306 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[2-(trifluoromethyl)phenoxy]cycloheptan-1-amine (1R,2R)-2-[2-(trifluoromethyl)ph…

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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) 3.61 6.35 -39.59 3 2 1 37 274.306 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[2-(trifluoromethyl)phenoxy]cycloheptan-1-amine (1S,2R)-2-[2-(trifluoromethyl)ph…

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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) 3.61 6.26 -40.46 3 2 1 37 274.306 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(2-propoxyphenoxy)cycloheptan-1-amine (1S,2R)-2-(2-propoxyphenoxy)cycl…

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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) 3.26 6.75 -40.14 3 3 1 46 264.389 5 ↓

Analogs

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Popular Name: (1S,2S)-2-(2-propoxyphenoxy)cycloheptan-1-amine (1S,2S)-2-(2-propoxyphenoxy)cycl…

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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) 3.26 6.83 -39.02 3 3 1 46 264.389 5 ↓

Analogs

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Popular Name: (1R,2R)-2-(2-propoxyphenoxy)cycloheptan-1-amine (1R,2R)-2-(2-propoxyphenoxy)cycl…

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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) 3.26 6.83 -38.99 3 3 1 46 264.389 5 ↓

Analogs

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Popular Name: (1R,2S)-2-(2-propoxyphenoxy)cycloheptan-1-amine (1R,2S)-2-(2-propoxyphenoxy)cycl…

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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) 3.26 6.75 -40.06 3 3 1 46 264.389 5 ↓

Analogs

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Popular Name: (1S,2R)-2-(2,3-dimethylphenoxy)cycloheptan-1-amine (1S,2R)-2-(2,3-dimethylphenoxy)c…

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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) 3.56 6.59 -43.51 3 2 1 37 234.363 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(2,3-dimethylphenoxy)cycloheptan-1-amine (1S,2S)-2-(2,3-dimethylphenoxy)c…

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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) 3.56 6.7 -42.35 3 2 1 37 234.363 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(2,3-dimethylphenoxy)cycloheptan-1-amine (1R,2R)-2-(2,3-dimethylphenoxy)c…

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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) 3.56 6.68 -42.32 3 2 1 37 234.363 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(2,3-dimethylphenoxy)cycloheptan-1-amine (1R,2S)-2-(2,3-dimethylphenoxy)c…

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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) 3.56 6.6 -43.45 3 2 1 37 234.363 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(2,5-dimethylphenoxy)cycloheptan-1-amine (1S,2R)-2-(2,5-dimethylphenoxy)c…

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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) 3.59 6.59 -43.32 3 2 1 37 234.363 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(2,5-dimethylphenoxy)cycloheptan-1-amine (1S,2S)-2-(2,5-dimethylphenoxy)c…

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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) 3.59 6.68 -42.21 3 2 1 37 234.363 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(2,5-dimethylphenoxy)cycloheptan-1-amine (1R,2R)-2-(2,5-dimethylphenoxy)c…

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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) 3.59 6.68 -42.09 3 2 1 37 234.363 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(2,5-dimethylphenoxy)cycloheptan-1-amine (1R,2S)-2-(2,5-dimethylphenoxy)c…

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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) 3.59 6.59 -43.32 3 2 1 37 234.363 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(2,3-difluorophenoxy)-N-ethyl-cycloheptanamine (1R,2S)-2-(2,3-difluorophenoxy)-…

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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) 4.28 7.88 -36.67 2 2 1 26 270.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2,3-difluorophenoxy)-N-ethyl-cycloheptanamine (1S,2S)-2-(2,3-difluorophenoxy)-…

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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) 4.28 7.83 -38.01 2 2 1 26 270.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2,3-difluorophenoxy)-N-ethyl-cycloheptanamine (1R,2R)-2-(2,3-difluorophenoxy)-…

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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) 4.28 7.72 -38.71 2 2 1 26 270.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2,3-difluorophenoxy)-N-ethyl-cycloheptanamine (1S,2R)-2-(2,3-difluorophenoxy)-…

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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) 4.28 7.89 -40.29 2 2 1 26 270.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2,3-difluorophenoxy)-N-methyl-cycloheptanamine (1R,2S)-2-(2,3-difluorophenoxy)-…

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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) 3.90 7.04 -37.58 2 2 1 26 256.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2,3-difluorophenoxy)-N-methyl-cycloheptanamine (1S,2S)-2-(2,3-difluorophenoxy)-…

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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) 3.90 6.99 -39.16 2 2 1 26 256.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2,3-difluorophenoxy)-N-methyl-cycloheptanamine (1R,2R)-2-(2,3-difluorophenoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.90 6.89 -39.79 2 2 1 26 256.316 3 ↓

Parameters Provided:

ring.id = 3794
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 = 3794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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