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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2R,3R)-2,3-dimethyl-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[(2R,3R)-2,3-dimethyl…

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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) 3.46 6.52 -29.73 2 2 1 25 240.411 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2R,3S)-2,3-dimethyl-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[(2R,3S)-2,3-dimethyl…

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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) 3.46 6.83 -29.22 2 2 1 25 240.411 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4-tert-butyl-1-piperidyl)methyl]cycloheptanol (1S,2S)-2-[(4-tert-butyl-1-piper…

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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) 4.46 7.9 -32.95 2 2 1 25 268.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4-tert-butyl-1-piperidyl)methyl]cycloheptanol (1S,2R)-2-[(4-tert-butyl-1-piper…

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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) 4.46 7.99 -32.21 2 2 1 25 268.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-tert-butyl-1-piperidyl)methyl]cycloheptanol (1R,2S)-2-[(4-tert-butyl-1-piper…

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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) 4.46 7.93 -32.51 2 2 1 25 268.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-tert-butyl-1-piperidyl)methyl]cycloheptanol (1R,2R)-2-[(4-tert-butyl-1-piper…

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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) 4.46 7.93 -32.86 2 2 1 25 268.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4-propyl-1-piperidyl)methyl]cycloheptanol (1S,2S)-2-[(4-propyl-1-piperidyl…

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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) 4.38 7.93 -32.06 2 2 1 25 254.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4-propyl-1-piperidyl)methyl]cycloheptanol (1S,2R)-2-[(4-propyl-1-piperidyl…

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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) 4.38 7.99 -31.45 2 2 1 25 254.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-propyl-1-piperidyl)methyl]cycloheptanol (1R,2S)-2-[(4-propyl-1-piperidyl…

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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) 4.38 7.94 -31.8 2 2 1 25 254.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-propyl-1-piperidyl)methyl]cycloheptanol (1R,2R)-2-[(4-propyl-1-piperidyl…

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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) 4.38 7.9 -32.16 2 2 1 25 254.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4-ethoxy-1-piperidyl)methyl]cycloheptanol (1S,2S)-2-[(4-ethoxy-1-piperidyl…

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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) 2.00 5.85 -34.27 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.00 4.26 -2.88 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4-ethoxy-1-piperidyl)methyl]cycloheptanol (1S,2R)-2-[(4-ethoxy-1-piperidyl…

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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) 2.00 5.93 -33.29 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.00 4.16 -2.77 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-ethoxy-1-piperidyl)methyl]cycloheptanol (1R,2S)-2-[(4-ethoxy-1-piperidyl…

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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) 2.00 5.88 -33.6 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.00 4.24 -2.94 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-ethoxy-1-piperidyl)methyl]cycloheptanol (1R,2R)-2-[(4-ethoxy-1-piperidyl…

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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) 2.00 5.84 -34.25 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.00 4.26 -2.89 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[4-(dimethylaminomethyl)-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[4-(dimethylaminometh…

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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) 2.79 7.84 -92.7 3 3 2 29 270.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[4-(dimethylaminomethyl)-1-piperidyl]methyl]cycloheptanol (1S,2R)-2-[[4-(dimethylaminometh…

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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) 2.79 7.92 -91.33 3 3 2 29 270.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[4-(dimethylaminomethyl)-1-piperidyl]methyl]cycloheptanol (1R,2S)-2-[[4-(dimethylaminometh…

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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) 2.79 7.87 -91.11 3 3 2 29 270.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[4-(dimethylaminomethyl)-1-piperidyl]methyl]cycloheptanol (1R,2R)-2-[[4-(dimethylaminometh…

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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) 2.79 7.86 -92.36 3 3 2 29 270.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[(2R)-2-(hydroxymethyl)-1-piperidyl]methyl]cycloheptanol (1R,2R)-2-[[(2R)-2-(hydroxymethy…

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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) 2.25 3.2 -29.33 3 3 1 45 242.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[(2R)-2-(hydroxymethyl)-1-piperidyl]methyl]cycloheptanol (1R,2S)-2-[[(2R)-2-(hydroxymethy…

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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) 2.25 3.04 -28.16 3 3 1 45 242.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2R)-2-(hydroxymethyl)-1-piperidyl]methyl]cycloheptanol (1S,2R)-2-[[(2R)-2-(hydroxymethy…

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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) 2.25 3.23 -27.98 3 3 1 45 242.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2R)-2-(hydroxymethyl)-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[(2R)-2-(hydroxymethy…

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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) 2.25 2.49 -29.22 3 3 1 45 242.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R,2R)-2-hydroxycycloheptyl]methyl]piperidin-3-ol (3S)-1-[[(1R,2R)-2-hydroxycycloh…

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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 2.55 -32.73 3 3 1 45 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S,2R)-2-hydroxycycloheptyl]methyl]piperidin-3-ol (3S)-1-[[(1S,2R)-2-hydroxycycloh…

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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 2.57 -31.79 3 3 1 45 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R,2S)-2-hydroxycycloheptyl]methyl]piperidin-3-ol (3S)-1-[[(1R,2S)-2-hydroxycycloh…

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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 2.59 -32.47 3 3 1 45 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S,2S)-2-hydroxycycloheptyl]methyl]piperidin-3-ol (3S)-1-[[(1S,2S)-2-hydroxycycloh…

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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 2.53 -32.72 3 3 1 45 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4-ethyl-1-piperidyl)methyl]cycloheptanol (1S,2S)-2-[(4-ethyl-1-piperidyl)…

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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 7.15 -31.88 2 2 1 25 240.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4-ethyl-1-piperidyl)methyl]cycloheptanol (1S,2R)-2-[(4-ethyl-1-piperidyl)…

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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 7.23 -31.13 2 2 1 25 240.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-ethyl-1-piperidyl)methyl]cycloheptanol (1R,2S)-2-[(4-ethyl-1-piperidyl)…

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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 7.18 -31.51 2 2 1 25 240.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-ethyl-1-piperidyl)methyl]cycloheptanol (1R,2R)-2-[(4-ethyl-1-piperidyl)…

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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 7.17 -31.81 2 2 1 25 240.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(3R)-3-propoxy-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[(3R)-3-propoxy-1-pip…

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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) 3.24 6.63 -33.03 2 3 1 34 270.437 5 ↓
Hi High (pH 8-9.5) 3.24 4.62 -2.66 1 3 0 33 269.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(3S)-3-propoxy-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[(3S)-3-propoxy-1-pip…

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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) 3.24 6.65 -32.82 2 3 1 34 270.437 5 ↓
Hi High (pH 8-9.5) 3.24 4.91 -2.92 1 3 0 33 269.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(3R)-3-ethoxy-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[(3R)-3-ethoxy-1-pipe…

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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) 2.74 5.84 -32.95 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.74 3.83 -2.81 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(3S)-3-ethoxy-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[(3S)-3-ethoxy-1-pipe…

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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) 2.74 5.86 -32.77 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.74 4.12 -3.07 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2R,4R)-2,4-dimethyl-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[(2R,4R)-2,4-dimethyl…

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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) 3.46 7 -29.78 2 2 1 25 240.411 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2R,4S)-2,4-dimethyl-1-piperidyl]methyl]cycloheptanol (1S,2S)-2-[[(2R,4S)-2,4-dimethyl…

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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) 3.46 6.77 -29.25 2 2 1 25 240.411 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]cycloheptanamine (1S,2S)-2-[(4-ethyl-4-methyl-1-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) 3.39 7.81 -117.42 4 2 2 32 254.462 3 ↓
Hi High (pH 8-9.5) 3.39 5.89 -43.43 3 2 1 31 253.454 3 ↓
Mid Mid (pH 6-8) 3.39 8.2 -34.26 3 2 1 30 253.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]cycloheptanamine (1S,2R)-2-[(4-ethyl-4-methyl-1-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) 3.39 7.89 -118.38 4 2 2 32 254.462 3 ↓
Hi High (pH 8-9.5) 3.39 5.95 -43.31 3 2 1 31 253.454 3 ↓
Mid Mid (pH 6-8) 3.39 7.61 -32.86 3 2 1 30 253.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]cycloheptanamine (1R,2S)-2-[(4-ethyl-4-methyl-1-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) 3.39 7.84 -118.51 4 2 2 32 254.462 3 ↓
Hi High (pH 8-9.5) 3.39 5.76 -43.23 3 2 1 31 253.454 3 ↓
Mid Mid (pH 6-8) 3.39 7.63 -31.93 3 2 1 30 253.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]cycloheptanamine (1R,2R)-2-[(4-ethyl-4-methyl-1-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) 3.39 7.88 -116.64 4 2 2 32 254.462 3 ↓
Hi High (pH 8-9.5) 3.39 6.14 -42.78 3 2 1 31 253.454 3 ↓
Mid Mid (pH 6-8) 3.39 7.67 -31.5 3 2 1 30 253.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]-N-methyl-cycloheptanamine (1S,2S)-2-[(4-ethyl-4-methyl-1-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) 4.30 9.67 -110.69 3 2 2 21 268.489 4 ↓
Hi High (pH 8-9.5) 4.30 8.28 -35.08 2 2 1 16 267.481 4 ↓
Hi High (pH 8-9.5) 4.30 7.92 -37.28 2 2 1 20 267.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]-N-methyl-cycloheptanamine (1S,2R)-2-[(4-ethyl-4-methyl-1-p…

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) 4.30 9.75 -112.31 3 2 2 21 268.489 4 ↓
Hi High (pH 8-9.5) 4.30 7.81 -37.65 2 2 1 20 267.481 4 ↓
Hi High (pH 8-9.5) 4.30 8.4 -34.4 2 2 1 16 267.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]-N-methyl-cycloheptanamine (1R,2S)-2-[(4-ethyl-4-methyl-1-p…

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) 4.30 9.71 -112.37 3 2 2 21 268.489 4 ↓
Hi High (pH 8-9.5) 4.30 8.99 -31.72 2 2 1 16 267.481 4 ↓
Hi High (pH 8-9.5) 4.30 7.63 -37.6 2 2 1 20 267.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]-N-methyl-cycloheptanamine (1R,2R)-2-[(4-ethyl-4-methyl-1-p…

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) 4.30 9.67 -110.72 3 2 2 21 268.489 4 ↓
Hi High (pH 8-9.5) 4.30 7.92 -37.29 2 2 1 20 267.481 4 ↓
Hi High (pH 8-9.5) 4.30 8.8 -31.44 2 2 1 16 267.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4,4-diethyl-1-piperidyl)methyl]cycloheptanamine (1S,2S)-2-[(4,4-diethyl-1-piperi…

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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) 3.73 8.26 -118.94 4 2 2 32 268.489 4 ↓
Hi High (pH 8-9.5) 3.73 6.19 -43.47 3 2 1 31 267.481 4 ↓
Mid Mid (pH 6-8) 3.73 8.67 -34.85 3 2 1 30 267.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4,4-diethyl-1-piperidyl)methyl]cycloheptanamine (1S,2R)-2-[(4,4-diethyl-1-piperi…

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) 3.73 8.37 -119.76 4 2 2 32 268.489 4 ↓
Hi High (pH 8-9.5) 3.73 6.42 -43.22 3 2 1 31 267.481 4 ↓
Mid Mid (pH 6-8) 3.73 8.1 -33.41 3 2 1 30 267.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4,4-diethyl-1-piperidyl)methyl]cycloheptanamine (1R,2S)-2-[(4,4-diethyl-1-piperi…

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) 3.73 8.31 -119.81 4 2 2 32 268.489 4 ↓
Hi High (pH 8-9.5) 3.73 6.23 -43.18 3 2 1 31 267.481 4 ↓
Mid Mid (pH 6-8) 3.73 8.1 -32.48 3 2 1 30 267.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4,4-diethyl-1-piperidyl)methyl]cycloheptanamine (1R,2R)-2-[(4,4-diethyl-1-piperi…

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) 3.73 8.47 -123.32 4 2 2 32 268.489 4 ↓
Hi High (pH 8-9.5) 3.73 6.72 -42.86 3 2 1 31 267.481 4 ↓
Mid Mid (pH 6-8) 3.73 8.11 -30.86 3 2 1 30 267.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4,4-diethyl-1-piperidyl)methyl]-N-methyl-cycloheptanamine (1S,2S)-2-[(4,4-diethyl-1-piperi…

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) 4.63 10.14 -111.88 3 2 2 21 282.516 5 ↓
Hi High (pH 8-9.5) 4.63 8.39 -37.22 2 2 1 20 281.508 5 ↓
Hi High (pH 8-9.5) 4.63 8.77 -35.69 2 2 1 16 281.508 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4,4-diethyl-1-piperidyl)methyl]-N-methyl-cycloheptanamine (1S,2R)-2-[(4,4-diethyl-1-piperi…

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) 4.63 10.24 -113.7 3 2 2 21 282.516 5 ↓
Hi High (pH 8-9.5) 4.63 8.29 -37.62 2 2 1 20 281.508 5 ↓
Hi High (pH 8-9.5) 4.63 8.87 -35.02 2 2 1 16 281.508 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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