UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(azocan-1-yl)-2-methyl-aniline 5-(azocan-1-yl)-2-methyl-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) 3.82 6.97 -3.02 2 2 0 29 218.344 1 ↓
Lo Low (pH 4.5-6) 3.82 7.58 -13.01 3 2 0 30 219.352 1 ↓

Analogs

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Popular Name: (1S)-1-[2-(azocan-1-yl)-6-fluoro-phenyl]ethanol (1S)-1-[2-(azocan-1-yl)-6-fluoro…

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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 7 -2.92 1 2 0 23 251.345 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(azocan-1-yl)-6-fluoro-phenyl]ethanol (1R)-1-[2-(azocan-1-yl)-6-fluoro…

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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 6.99 -2.74 1 2 0 23 251.345 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(azocan-1-yl)-5-fluoro-phenyl]ethanol (1S)-1-[2-(azocan-1-yl)-5-fluoro…

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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 6.66 -2.97 1 2 0 23 251.345 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(azocan-1-yl)-5-fluoro-phenyl]ethanol (1R)-1-[2-(azocan-1-yl)-5-fluoro…

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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 6.74 -2.92 1 2 0 23 251.345 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(azocan-1-yl)-3-fluoro-phenyl]ethanol (1S)-1-[4-(azocan-1-yl)-3-fluoro…

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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 6.83 -3.92 1 2 0 23 251.345 2 ↓

Analogs

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Popular Name: (1R)-1-[4-(azocan-1-yl)-3-fluoro-phenyl]ethanol (1R)-1-[4-(azocan-1-yl)-3-fluoro…

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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 6.79 -4.06 1 2 0 23 251.345 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(azocan-1-yl)-3-nitro-phenyl]ethanol (1S)-1-[4-(azocan-1-yl)-3-nitro-…

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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) 3.41 7.81 -7.63 1 5 0 69 278.352 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(azocan-1-yl)-3-nitro-phenyl]ethanol (1R)-1-[4-(azocan-1-yl)-3-nitro-…

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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) 3.41 7.78 -7.72 1 5 0 69 278.352 3 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-5-nitro-aniline 2-(azocan-1-yl)-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) 3.33 7.48 -5.5 2 5 0 75 249.314 2 ↓

Analogs

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Popular Name: [2-(azocan-1-yl)-5-chloro-phenyl]methanamine [2-(azocan-1-yl)-5-chloro-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) 3.75 7.48 -45.92 3 2 1 31 253.797 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-5-chloro-benzenecarbothioamide 2-(azocan-1-yl)-5-chloro-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) 4.36 8.32 -6.04 2 2 0 29 282.84 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-5-chloro-benzonitrile 2-(azocan-1-yl)-5-chloro-benzoni…

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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) 4.32 9.3 -3.81 0 2 0 27 248.757 1 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-5-chloro-benzamidine 2-(azocan-1-yl)-5-chloro-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) 2.95 6.2 -32.2 4 3 1 55 266.796 2 ↓
Hi High (pH 8-9.5) 2.95 7.74 -2.16 3 3 0 53 265.788 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-5-chloro-N'-hydroxy-benzamidine 2-(azocan-1-yl)-5-chloro-N'-hydr…

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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 5.24 -5.43 3 4 0 62 281.787 2 ↓
Lo Low (pH 4.5-6) 2.88 5.18 -33.25 4 4 1 63 282.795 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-6-chloro-N'-hydroxy-benzamidine 2-(azocan-1-yl)-6-chloro-N'-hydr…

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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 5.09 -5.76 3 4 0 62 281.787 2 ↓
Lo Low (pH 4.5-6) 2.85 4.73 -30.17 4 4 1 63 282.795 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-6-chloro-benzenecarbothioamide 2-(azocan-1-yl)-6-chloro-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) 4.34 8.26 -9.76 2 2 0 29 282.84 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-6-chloro-benzamidine 2-(azocan-1-yl)-6-chloro-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) 2.93 5.83 -28.36 4 3 1 55 266.796 2 ↓
Hi High (pH 8-9.5) 2.93 6.25 -4.41 3 3 0 53 265.788 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-5-nitro-benzoic 2-(azocan-1-yl)-5-nitro-benzoic

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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) 3.94 8.87 -52.18 0 6 -1 89 277.3 3 ↓

Analogs

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Popular Name: 1-[2-(azocan-1-yl)-6-fluoro-phenyl]ethanone 1-[2-(azocan-1-yl)-6-fluoro-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) 3.92 8.18 -6.06 0 2 0 20 249.329 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-5-chloro-aniline 2-(azocan-1-yl)-5-chloro-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) 4.05 6.33 -2.61 2 2 0 29 238.762 1 ↓

Analogs

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Popular Name: [2-(azocan-1-yl)-4-chloro-phenyl]methanamine [2-(azocan-1-yl)-4-chloro-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) 3.75 7.47 -48.07 3 2 1 31 253.797 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-4-chloro-benzoic 2-(azocan-1-yl)-4-chloro-benzoic

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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) 4.66 9.91 -45.42 0 3 -1 43 266.748 2 ↓
Lo Low (pH 4.5-6) 4.66 9.76 -29.72 1 3 0 45 267.756 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-4-chloro-benzenecarbothioamide 2-(azocan-1-yl)-4-chloro-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) 4.36 8.31 -7.12 2 2 0 29 282.84 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-4-chloro-benzamidine 2-(azocan-1-yl)-4-chloro-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) 2.95 6.19 -34.22 4 3 1 55 266.796 2 ↓
Hi High (pH 8-9.5) 2.95 7.74 -2.85 3 3 0 53 265.788 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-4-chloro-N'-hydroxy-benzamidine 2-(azocan-1-yl)-4-chloro-N'-hydr…

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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 5.18 -4.79 3 4 0 62 281.787 2 ↓
Lo Low (pH 4.5-6) 2.88 5.17 -34.79 4 4 1 63 282.795 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-4-chloro-benzonitrile 2-(azocan-1-yl)-4-chloro-benzoni…

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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) 4.32 9.31 -3.53 0 2 0 27 248.757 1 ↓

Analogs

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Popular Name: [4-(azocan-1-yl)-3-chloro-phenyl]methanamine [4-(azocan-1-yl)-3-chloro-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) 3.75 7.06 -45.56 3 2 1 31 253.797 2 ↓
Hi High (pH 8-9.5) 3.75 6.66 -2.2 2 2 0 29 252.789 2 ↓

Analogs

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Popular Name: 4-(azocan-1-yl)-3-chloro-benzonitrile 4-(azocan-1-yl)-3-chloro-benzoni…

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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) 4.32 9.41 -3.83 0 2 0 27 248.757 1 ↓

Analogs

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Popular Name: 4-(azocan-1-yl)-3-chloro-benzamidine 4-(azocan-1-yl)-3-chloro-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) 2.95 6.89 -32.87 4 3 1 55 266.796 2 ↓

Analogs

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Popular Name: 4-(azocan-1-yl)-3-chloro-N'-hydroxy-benzamidine 4-(azocan-1-yl)-3-chloro-N'-hydr…

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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 5.69 -6.39 3 4 0 62 281.787 2 ↓
Lo Low (pH 4.5-6) 2.88 5.73 -31.24 4 4 1 63 282.795 2 ↓

Analogs

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Popular Name: 4-(azocan-1-yl)-3-chloro-benzenecarbothioamide 4-(azocan-1-yl)-3-chloro-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) 4.36 8.23 -9.36 2 2 0 29 282.84 2 ↓

Analogs

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Popular Name: 4-(azocan-1-yl)-3-chloro-benzoic 4-(azocan-1-yl)-3-chloro-benzoic

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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) 4.47 9.57 -46.08 0 3 -1 43 266.748 2 ↓
Lo Low (pH 4.5-6) 4.47 9.61 -51.05 1 3 0 45 267.756 2 ↓

Analogs

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Popular Name: 4-amino-2-(azocan-1-yl)benzoic 4-amino-2-(azocan-1-yl)benzoic

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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) 3.05 7.28 -54.19 2 4 -1 69 247.318 2 ↓
Lo Low (pH 4.5-6) 3.05 7.11 -35.69 3 4 0 71 248.326 2 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-6-chloro-benzonitrile 2-(azocan-1-yl)-6-chloro-benzoni…

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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) 4.30 9.2 -5.99 0 2 0 27 248.757 1 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-5-fluoro-benzaldehyde 2-(azocan-1-yl)-5-fluoro-benzald…

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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) 3.84 8.37 -5.5 0 2 0 20 235.302 2 ↓

Analogs

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Popular Name: [2-(azocan-1-yl)-5-fluoro-phenyl]methanol [2-(azocan-1-yl)-5-fluoro-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) 3.39 6.06 -4.33 1 2 0 23 237.318 2 ↓

Analogs

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Popular Name: 1-[2-(chloromethyl)-4-fluoro-phenyl]azocane 1-[2-(chloromethyl)-4-fluoro-phe…

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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) 4.63 9.95 -2.08 0 1 0 3 255.764 2 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-yl)-5-fluoro-phenyl]methyl]propan-2-amine N-[[2-(azocan-1-yl)-5-fluoro-phe…

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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 10.28 -38.06 2 2 1 20 279.423 4 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-yl)-5-fluoro-phenyl]methyl]propan-1-amine N-[[2-(azocan-1-yl)-5-fluoro-phe…

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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) 4.49 10.52 -40.72 2 2 1 20 279.423 5 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-yl)-5-fluoro-phenyl]methyl]ethanamine N-[[2-(azocan-1-yl)-5-fluoro-phe…

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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) 3.99 9.77 -39.93 2 2 1 20 265.396 4 ↓

Analogs

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Popular Name: 1-[2-(azocan-1-yl)-5-fluoro-phenyl]-N-methyl-methanamine 1-[2-(azocan-1-yl)-5-fluoro-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) 3.61 8.9 -41.09 2 2 1 20 251.369 3 ↓

Analogs

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Popular Name: [2-(azocan-1-yl)-5-fluoro-phenyl]methanamine [2-(azocan-1-yl)-5-fluoro-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) 3.23 7.03 -46.83 3 2 1 31 237.342 2 ↓

Analogs

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Popular Name: 4-(azocan-1-yl)-2-(trifluoromethyl)benzonitrile 4-(azocan-1-yl)-2-(trifluorometh…

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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) 4.54 9.48 -7.47 0 2 0 27 282.309 2 ↓

Analogs

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Popular Name: 4-(azocan-1-yl)-2-(trifluoromethyl)benzenecarbothioamide 4-(azocan-1-yl)-2-(trifluorometh…

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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) 4.58 8.13 -15.22 2 2 0 29 316.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(azocan-1-yl)-2-(trifluoromethyl)phenyl]methanamine [4-(azocan-1-yl)-2-(trifluoromet…

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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) 3.97 7.3 -45.57 3 2 1 31 287.349 3 ↓
Hi High (pH 8-9.5) 3.97 7.05 -3.97 2 2 0 29 286.341 3 ↓

Analogs

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Popular Name: 4-(azocan-1-yl)-2-(trifluoromethyl)benzamidine 4-(azocan-1-yl)-2-(trifluorometh…

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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) 3.17 6.63 -28.66 4 3 1 55 300.348 3 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-5-sulfamoyl-benzoic 2-(azocan-1-yl)-5-sulfamoyl-benzoic

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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) 2.67 4.35 -55.06 2 6 -1 104 311.383 3 ↓

Analogs

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Popular Name: 3-amino-4-(azocan-1-yl)benzenesulfonamide 3-amino-4-(azocan-1-yl)benzenesu…

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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) 2.06 1.72 -9.14 4 5 0 89 283.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)-5-(trifluoromethyl)benzonitrile 2-(azocan-1-yl)-5-(trifluorometh…

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) 4.54 9.79 -4.41 0 2 0 27 282.309 2 ↓

Parameters Provided:

ring.id = 5524
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 = 5524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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