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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 3.38 7.16 -43.48 2 2 1 26 240.754 4 ↓
Hi High (pH 8-9.5) 3.38 5.99 -3.19 1 2 0 21 239.746 4 ↓

Analogs

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

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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) 3.38 7.18 -43.34 2 2 1 26 240.754 4 ↓
Hi High (pH 8-9.5) 3.38 6 -3.98 1 2 0 21 239.746 4 ↓

Analogs

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

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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 8.01 -42.02 2 2 1 26 254.781 5 ↓

Analogs

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

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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 8 -41.88 2 2 1 26 254.781 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-chloro-4-(cyclobutoxy)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(cyclobuto…

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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) 4.26 8.78 -42.92 2 2 1 26 268.808 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-chloro-4-(cyclobutoxy)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(cyclobuto…

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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) 4.26 8.76 -42.74 2 2 1 26 268.808 6 ↓

Analogs

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

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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) 1.13 5.39 -49.06 3 2 1 37 226.727 3 ↓
Hi High (pH 8-9.5) 1.13 5.07 -3.93 2 2 0 35 225.719 3 ↓

Analogs

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

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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) 1.13 5.4 -48.93 3 2 1 37 226.727 3 ↓
Hi High (pH 8-9.5) 1.13 5.07 -4.41 2 2 0 35 225.719 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(cyclobutoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(cyclobutoxy)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) 3.51 7.29 -43.38 2 2 1 26 285.205 4 ↓
Hi High (pH 8-9.5) 3.51 6.11 -3.1 1 2 0 21 284.197 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(cyclobutoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(cyclobutoxy)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) 3.51 7.29 -43.23 2 2 1 26 285.205 4 ↓
Hi High (pH 8-9.5) 3.51 6.11 -3.84 1 2 0 21 284.197 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(cyclobutoxy)phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(cyclobutoxy)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) 3.89 8.13 -41.92 2 2 1 26 299.232 5 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(cyclobutoxy)phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-(cyclobutoxy)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) 3.89 8.12 -41.76 2 2 1 26 299.232 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-bromo-4-(cyclobutoxy)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(cyclobutox…

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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) 4.39 8.89 -42.71 2 2 1 26 313.259 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-bromo-4-(cyclobutoxy)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(cyclobutox…

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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) 4.39 8.88 -42.63 2 2 1 26 313.259 6 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(cyclobutoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(cyclobutoxy)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) 1.26 5.51 -48.98 3 2 1 37 271.178 3 ↓
Hi High (pH 8-9.5) 1.26 5.18 -3.75 2 2 0 35 270.17 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(cyclobutoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(cyclobutoxy)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) 1.26 5.51 -48.87 3 2 1 37 271.178 3 ↓
Hi High (pH 8-9.5) 1.26 5.18 -4.21 2 2 0 35 270.17 3 ↓

Analogs

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Popular Name: 2-(cyclobutoxy)-5-nitro-aniline 2-(cyclobutoxy)-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) 2.02 4.79 -6.02 2 5 0 81 208.217 3 ↓

Analogs

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Popular Name: [5-chloro-2-(cyclobutoxy)phenyl]methanamine [5-chloro-2-(cyclobutoxy)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) 2.44 4.68 -41.27 3 2 1 37 212.7 3 ↓
Hi High (pH 8-9.5) 2.44 4.27 -2.76 2 2 0 35 211.692 3 ↓

Analogs

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Popular Name: 5-chloro-2-(cyclobutoxy)benzenecarbothioamide 5-chloro-2-(cyclobutoxy)benzenec…

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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) 3.06 6.17 -11.11 2 2 0 35 241.743 3 ↓

Analogs

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Popular Name: 5-chloro-2-(cyclobutoxy)benzonitrile 5-chloro-2-(cyclobutoxy)benzonit…

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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) 3.02 7.01 -6.65 0 2 0 33 207.66 2 ↓

Analogs

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Popular Name: 5-chloro-2-(cyclobutoxy)benzamidine 5-chloro-2-(cyclobutoxy)benzamidine

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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) 1.65 4.26 -29.18 4 3 1 61 225.699 3 ↓

Analogs

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Popular Name: 5-chloro-2-(cyclobutoxy)-N'-hydroxy-benzamidine 5-chloro-2-(cyclobutoxy)-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) 1.57 3.16 -7.01 3 4 0 68 240.69 3 ↓
Lo Low (pH 4.5-6) 1.57 3.08 -30.47 4 4 1 69 241.698 3 ↓

Analogs

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Popular Name: [2-chloro-6-(cyclobutoxy)phenyl]methanamine [2-chloro-6-(cyclobutoxy)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) 2.42 4.59 -35.42 3 2 1 37 212.7 3 ↓
Hi High (pH 8-9.5) 2.42 4.19 -3.65 2 2 0 35 211.692 3 ↓

Analogs

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Popular Name: 2-chloro-6-(cyclobutoxy)benzamidine 2-chloro-6-(cyclobutoxy)benzamidine

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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 3.9 -25.96 4 3 1 61 225.699 3 ↓

Analogs

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Popular Name: 2-chloro-6-(cyclobutoxy)-N'-hydroxy-benzamidine 2-chloro-6-(cyclobutoxy)-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) 1.55 2.77 -9.04 3 4 0 68 240.69 3 ↓

Analogs

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Popular Name: 2-chloro-6-(cyclobutoxy)benzenecarbothioamide 2-chloro-6-(cyclobutoxy)benzenec…

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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) 3.04 5.76 -12.72 2 2 0 35 241.743 3 ↓

Analogs

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Popular Name: 2-chloro-6-(cyclobutoxy)benzonitrile 2-chloro-6-(cyclobutoxy)benzonit…

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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) 2.99 6.93 -9.14 0 2 0 33 207.66 2 ↓

Analogs

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Popular Name: [4-chloro-2-(cyclobutoxy)phenyl]methanamine [4-chloro-2-(cyclobutoxy)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) 2.44 4.71 -42.86 3 2 1 37 212.7 3 ↓
Hi High (pH 8-9.5) 2.44 4.31 -2.67 2 2 0 35 211.692 3 ↓

Analogs

42392684
42392684
42392687
42392687

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Popular Name: 4-chloro-2-(cyclobutoxy)benzoic 4-chloro-2-(cyclobutoxy)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) 3.25 7.94 -50.94 0 3 -1 49 225.651 3 ↓

Analogs

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Popular Name: 4-chloro-2-(cyclobutoxy)benzenecarbothioamide 4-chloro-2-(cyclobutoxy)benzenec…

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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) 3.06 6.18 -12.35 2 2 0 35 241.743 3 ↓

Analogs

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Popular Name: 4-chloro-2-(cyclobutoxy)benzamidine 4-chloro-2-(cyclobutoxy)benzamidine

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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) 1.65 4.3 -30.66 4 3 1 61 225.699 3 ↓

Analogs

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Popular Name: 4-chloro-2-(cyclobutoxy)-N'-hydroxy-benzamidine 4-chloro-2-(cyclobutoxy)-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) 1.57 3.13 -5.86 3 4 0 68 240.69 3 ↓
Lo Low (pH 4.5-6) 1.57 3.08 -31.39 4 4 1 69 241.698 3 ↓

Analogs

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Popular Name: 4-chloro-2-(cyclobutoxy)benzonitrile 4-chloro-2-(cyclobutoxy)benzonit…

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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) 3.02 7.04 -6.32 0 2 0 33 207.66 2 ↓

Analogs

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Popular Name: [3-chloro-4-(cyclobutoxy)phenyl]methanamine [3-chloro-4-(cyclobutoxy)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) 2.44 4.67 -49.04 3 2 1 37 212.7 3 ↓
Hi High (pH 8-9.5) 2.44 4.27 -4.02 2 2 0 35 211.692 3 ↓

Analogs

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Popular Name: 3-chloro-4-(cyclobutoxy)benzonitrile 3-chloro-4-(cyclobutoxy)benzonit…

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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) 3.02 7.04 -5.85 0 2 0 33 207.66 2 ↓

Analogs

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Popular Name: 3-chloro-4-(cyclobutoxy)benzamidine 3-chloro-4-(cyclobutoxy)benzamidine

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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) 1.65 4.52 -36.05 4 3 1 61 225.699 3 ↓

Analogs

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Popular Name: 3-chloro-4-(cyclobutoxy)-N'-hydroxy-benzamidine 3-chloro-4-(cyclobutoxy)-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) 1.57 3.34 -9.03 3 4 0 68 240.69 3 ↓
Lo Low (pH 4.5-6) 1.57 3.26 -37.24 4 4 1 69 241.698 3 ↓

Analogs

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Popular Name: 3-chloro-4-(cyclobutoxy)benzenecarbothioamide 3-chloro-4-(cyclobutoxy)benzenec…

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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) 3.06 5.88 -10.73 2 2 0 35 241.743 3 ↓

Analogs

42393274
42393274
42393277
42393277

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Popular Name: 3-chloro-4-(cyclobutoxy)benzoic 3-chloro-4-(cyclobutoxy)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) 3.17 7.2 -45.41 0 3 -1 49 225.651 3 ↓

Analogs

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Popular Name: 4-Cyclobutoxy-3,5-difluorobenzoic acid 4-Cyclobutoxy-3,5-difluorobenzoi…

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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 6.98 -39.26 0 3 -1 49 227.186 3 ↓

Analogs

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Popular Name: 4-amino-2-(cyclobutoxy)benzoic 4-amino-2-(cyclobutoxy)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) 1.65 5.29 -60.21 2 4 -1 75 206.221 3 ↓
Lo Low (pH 4.5-6) 1.65 3.3 -10.95 3 4 0 73 207.229 3 ↓

Analogs

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Popular Name: 4-amino-2-(cyclobutoxy)benzamide 4-amino-2-(cyclobutoxy)benzamide

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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 2.06 -13.27 4 4 0 78 206.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(cyclobutoxy)-N-methyl-benzamide 4-amino-2-(cyclobutoxy)-N-methyl…

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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) 1.40 3.51 -13.62 3 4 0 64 220.272 3 ↓

Parameters Provided:

ring.id = 4159
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 = 4159 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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