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Analogs

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Popular Name: (2R)-2-cyclopentyl-2-[(2R)-2-methylazepan-1-yl]ethanamine (2R)-2-cyclopentyl-2-[(2R)-2-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 6.09 -117.63 4 2 2 32 226.408 3 ↓
Mid Mid (pH 6-8) 2.66 5.68 -25.88 3 2 1 30 225.4 3 ↓

Analogs

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Popular Name: (2R)-2-cyclopentyl-2-[(2S)-2-methylazepan-1-yl]ethanamine (2R)-2-cyclopentyl-2-[(2S)-2-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 6.41 -109.69 4 2 2 32 226.408 3 ↓
Mid Mid (pH 6-8) 2.66 6.12 -29.13 3 2 1 30 225.4 3 ↓

Analogs

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Popular Name: 1-[[(2R)-2-methylazepan-1-yl]methyl]cyclopentanamine 1-[[(2R)-2-methylazepan-1-yl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 6.39 -112.2 4 2 2 32 212.381 2 ↓
Hi High (pH 8-9.5) 2.97 4.61 -37.96 3 2 1 31 211.373 2 ↓
Mid Mid (pH 6-8) 2.97 6.02 -28.28 3 2 1 30 211.373 2 ↓

Analogs

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Popular Name: 1-[[(2S)-2-methylazepan-1-yl]methyl]cyclopentanamine 1-[[(2S)-2-methylazepan-1-yl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 6.2 -111.59 4 2 2 32 212.381 2 ↓
Hi High (pH 8-9.5) 2.97 4.63 -37.09 3 2 1 31 211.373 2 ↓
Mid Mid (pH 6-8) 2.97 5.96 -28.09 3 2 1 30 211.373 2 ↓

Analogs

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Popular Name: 1-[[(2R)-2-methylazepan-1-yl]methyl]cyclopentanecarbaldehyde 1-[[(2R)-2-methylazepan-1-yl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 8.32 -36.13 1 2 1 22 224.368 3 ↓
Hi High (pH 8-9.5) 3.39 6.61 -3.08 0 2 0 20 223.36 3 ↓

Analogs

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Popular Name: 1-[[(2S)-2-methylazepan-1-yl]methyl]cyclopentanecarbaldehyde 1-[[(2S)-2-methylazepan-1-yl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 8.34 -37.87 1 2 1 22 224.368 3 ↓
Hi High (pH 8-9.5) 3.39 6.78 -3.49 0 2 0 20 223.36 3 ↓

Analogs

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Popular Name: (1S,2S)-N-methyl-2-[[(2R)-2-methylazepan-1-yl]methyl]cyclopentanamine (1S,2S)-N-methyl-2-[[(2R)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 8.26 -104.05 3 2 2 21 226.408 3 ↓
Hi High (pH 8-9.5) 3.14 6.35 -37.93 2 2 1 20 225.4 3 ↓
Mid Mid (pH 6-8) 3.14 7.07 -30.06 2 2 1 16 225.4 3 ↓

Analogs

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Popular Name: (1S,2S)-N-methyl-2-[[(2S)-2-methylazepan-1-yl]methyl]cyclopentanamine (1S,2S)-N-methyl-2-[[(2S)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 8.06 -102.81 3 2 2 21 226.408 3 ↓
Hi High (pH 8-9.5) 3.14 6.08 -37.75 2 2 1 20 225.4 3 ↓
Mid Mid (pH 6-8) 3.14 6.82 -29.61 2 2 1 16 225.4 3 ↓

Analogs

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Popular Name: [1-[[(2R)-2-methylazepan-1-yl]methyl]cyclopentyl]methanamine [1-[[(2R)-2-methylazepan-1-yl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 6.66 -105.12 4 2 2 32 226.408 3 ↓
Hi High (pH 8-9.5) 2.37 4.92 -41.98 3 2 1 31 225.4 3 ↓
Hi High (pH 8-9.5) 2.37 6.34 -29.55 3 2 1 30 225.4 3 ↓

Analogs

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Popular Name: [1-[[(2S)-2-methylazepan-1-yl]methyl]cyclopentyl]methanamine [1-[[(2S)-2-methylazepan-1-yl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 6.83 -104.19 4 2 2 32 226.408 3 ↓
Hi High (pH 8-9.5) 2.37 5.46 -41.19 3 2 1 31 225.4 3 ↓
Hi High (pH 8-9.5) 2.37 6.47 -29.5 3 2 1 30 225.4 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2R)-2-methylazepan-1-yl]methyl]cyclopentanamine (1S,2S)-2-[[(2R)-2-methylazepan-…

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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 6.34 -109.94 4 2 2 32 212.381 2 ↓
Hi High (pH 8-9.5) 2.23 4.43 -43.54 3 2 1 31 211.373 2 ↓
Mid Mid (pH 6-8) 2.23 6.1 -28.63 3 2 1 30 211.373 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2S)-2-methylazepan-1-yl]methyl]cyclopentanamine (1S,2S)-2-[[(2S)-2-methylazepan-…

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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 6.42 -110.37 4 2 2 32 212.381 2 ↓
Hi High (pH 8-9.5) 2.23 4.68 -42.94 3 2 1 31 211.373 2 ↓
Mid Mid (pH 6-8) 2.23 6.18 -28.79 3 2 1 30 211.373 2 ↓

Analogs

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Popular Name: [1-[[(2R)-2-methylazepan-1-yl]methyl]cyclopentyl]methanol [1-[[(2R)-2-methylazepan-1-yl]me…

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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) 2.94 6.07 -32.28 2 2 1 25 226.384 3 ↓

Analogs

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Popular Name: [1-[[(2S)-2-methylazepan-1-yl]methyl]cyclopentyl]methanol [1-[[(2S)-2-methylazepan-1-yl]me…

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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) 2.94 6.16 -31.73 2 2 1 25 226.384 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2R)-2-methylazepan-1-yl]methyl]cyclopentanol (1S,2S)-2-[[(2R)-2-methylazepan-…

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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) 2.72 5.72 -27.53 2 2 1 25 212.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2S)-2-methylazepan-1-yl]methyl]cyclopentanol (1S,2S)-2-[[(2S)-2-methylazepan-…

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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) 2.72 5.81 -27.91 2 2 1 25 212.357 2 ↓

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