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Analogs

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Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-cyclohexyl-ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-y…

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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) 3.31 8.2 -128.36 4 2 2 32 266.473 3 ↓
Mid Mid (pH 6-8) 3.31 7.84 -30.54 3 2 1 30 265.465 3 ↓

Analogs

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Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-cyclohexyl-ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-y…

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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) 3.31 8.6 -127.74 4 2 2 32 266.473 3 ↓
Mid Mid (pH 6-8) 3.31 8.6 -29.73 3 2 1 30 265.465 3 ↓

Analogs

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Popular Name: 1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanecarbaldehyde 1-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 4.04 10.33 -39.06 1 2 1 22 264.433 3 ↓
Hi High (pH 8-9.5) 4.04 8.71 -4.03 0 2 0 20 263.425 3 ↓

Analogs

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Popular Name: 1-[1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexyl]-N-methyl-methanamine 1-[1-(8-azaspiro[4.5]decan-8-ylm…

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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) 4.00 10.54 -104.79 3 2 2 21 280.5 4 ↓
Hi High (pH 8-9.5) 4.00 9.39 -32.74 2 2 1 16 279.492 4 ↓
Hi High (pH 8-9.5) 4.00 8.69 -38.19 2 2 1 20 279.492 4 ↓

Analogs

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Popular Name: [1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexyl]methanamine [1-(8-azaspiro[4.5]decan-8-ylmet…

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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 8.44 -115.99 4 2 2 32 266.473 3 ↓
Hi High (pH 8-9.5) 3.02 8.12 -33.9 3 2 1 30 265.465 3 ↓
Hi High (pH 8-9.5) 3.02 6.66 -44.33 3 2 1 31 265.465 3 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-cyclohexanamine (1S,2S,4R)-2-(8-azaspiro[4.5]dec…

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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 8.88 -115.3 4 2 2 32 266.473 2 ↓
Hi High (pH 8-9.5) 2.88 6.96 -41.68 3 2 1 31 265.465 2 ↓

Analogs

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Popular Name: (1S,2S,4S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-cyclohexanamine (1S,2S,4S)-2-(8-azaspiro[4.5]dec…

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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 8.49 -117.64 4 2 2 32 266.473 2 ↓
Hi High (pH 8-9.5) 2.88 6.53 -43.85 3 2 1 31 265.465 2 ↓

Analogs

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Popular Name: (1R,2S,4R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-cyclohexanamine (1R,2S,4R)-2-(8-azaspiro[4.5]dec…

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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 8.73 -118.74 4 2 2 32 266.473 2 ↓
Hi High (pH 8-9.5) 2.88 6.76 -43.6 3 2 1 31 265.465 2 ↓

Analogs

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Popular Name: (1R,2S,4S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-cyclohexanamine (1R,2S,4S)-2-(8-azaspiro[4.5]dec…

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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 8.5 -118.47 4 2 2 32 266.473 2 ↓
Hi High (pH 8-9.5) 2.88 6.64 -43.79 3 2 1 31 265.465 2 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N,4-dimethyl-cyclohexanamine (1S,2S,4R)-2-(8-azaspiro[4.5]dec…

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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) 3.79 10.63 -109.65 3 2 2 21 280.5 3 ↓
Hi High (pH 8-9.5) 3.79 8.73 -36.27 2 2 1 20 279.492 3 ↓

Analogs

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Popular Name: (1S,2S,4S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N,4-dimethyl-cyclohexanamine (1S,2S,4S)-2-(8-azaspiro[4.5]dec…

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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) 3.79 10.19 -111.61 3 2 2 21 280.5 3 ↓
Hi High (pH 8-9.5) 3.79 8.32 -38.13 2 2 1 20 279.492 3 ↓

Analogs

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Popular Name: (1R,2S,4R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N,4-dimethyl-cyclohexanamine (1R,2S,4R)-2-(8-azaspiro[4.5]dec…

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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) 3.79 10.45 -112.31 3 2 2 21 280.5 3 ↓
Hi High (pH 8-9.5) 3.79 8.57 -37.87 2 2 1 20 279.492 3 ↓

Analogs

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Popular Name: (1R,2S,4S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N,4-dimethyl-cyclohexanamine (1R,2S,4S)-2-(8-azaspiro[4.5]dec…

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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) 3.79 10.21 -112.12 3 2 2 21 280.5 3 ↓
Hi High (pH 8-9.5) 3.79 8.36 -38.01 2 2 1 20 279.492 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine (1S,2S)-2-(8-azaspiro[4.5]decan-…

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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 7.88 -114.8 4 2 2 32 252.446 2 ↓
Hi High (pH 8-9.5) 2.88 6.01 -42.84 3 2 1 31 251.438 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine (1R,2S)-2-(8-azaspiro[4.5]decan-…

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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 8.11 -116.3 4 2 2 32 252.446 2 ↓
Hi High (pH 8-9.5) 2.88 6.25 -42.75 3 2 1 31 251.438 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…

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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 8.12 -116.63 4 2 2 32 252.446 2 ↓
Hi High (pH 8-9.5) 2.88 6.15 -42.85 3 2 1 31 251.438 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine (1R,2R)-2-(8-azaspiro[4.5]decan-…

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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 8.27 -113.28 4 2 2 32 252.446 2 ↓
Hi High (pH 8-9.5) 2.88 6.3 -40.87 3 2 1 31 251.438 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cyclohexanamine (1R,2R)-2-(8-azaspiro[4.5]decan-…

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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) 3.78 10.02 -107.78 3 2 2 21 266.473 3 ↓
Hi High (pH 8-9.5) 3.78 8.05 -35.48 2 2 1 20 265.465 3 ↓
Mid Mid (pH 6-8) 3.78 9.16 -36.39 2 2 1 16 265.465 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cyclohexanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…

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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) 3.78 9.83 -110.59 3 2 2 21 266.473 3 ↓
Hi High (pH 8-9.5) 3.78 7.86 -37.31 2 2 1 20 265.465 3 ↓
Mid Mid (pH 6-8) 3.78 8.82 -32.13 2 2 1 16 265.465 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cyclohexanamine (1R,2S)-2-(8-azaspiro[4.5]decan-…

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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) 3.78 9.83 -110.43 3 2 2 21 266.473 3 ↓
Hi High (pH 8-9.5) 3.78 7.98 -37.2 2 2 1 20 265.465 3 ↓
Mid Mid (pH 6-8) 3.78 8.57 -35.73 2 2 1 16 265.465 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cyclohexanamine (1S,2S)-2-(8-azaspiro[4.5]decan-…

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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) 3.78 10.03 -107.77 3 2 2 21 266.473 3 ↓
Hi High (pH 8-9.5) 3.78 8.12 -35.61 2 2 1 20 265.465 3 ↓
Mid Mid (pH 6-8) 3.78 9.06 -32.23 2 2 1 16 265.465 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-cyclohexanamine (1R,2R)-2-(8-azaspiro[4.5]decan-…

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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) 4.16 10.86 -107.45 3 2 2 21 280.5 4 ↓
Hi High (pH 8-9.5) 4.16 8.92 -34.2 2 2 1 20 279.492 4 ↓
Hi High (pH 8-9.5) 4.16 10.07 -36.52 2 2 1 16 279.492 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-cyclohexanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…

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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) 4.16 10.68 -110 3 2 2 21 280.5 4 ↓
Hi High (pH 8-9.5) 4.16 8.71 -35.87 2 2 1 20 279.492 4 ↓
Hi High (pH 8-9.5) 4.16 9.75 -32.25 2 2 1 16 279.492 4 ↓

Analogs

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Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-cyclohexanamine (1R,2S)-2-(8-azaspiro[4.5]decan-…

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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) 4.16 10.68 -110.24 3 2 2 21 280.5 4 ↓
Hi High (pH 8-9.5) 4.16 8.84 -35.99 2 2 1 20 279.492 4 ↓
Hi High (pH 8-9.5) 4.16 9.51 -35.93 2 2 1 16 279.492 4 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-cyclohexanamine (1S,2S)-2-(8-azaspiro[4.5]decan-…

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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) 4.16 10.86 -107.45 3 2 2 21 280.5 4 ↓
Hi High (pH 8-9.5) 4.16 8.94 -34.27 2 2 1 20 279.492 4 ↓
Hi High (pH 8-9.5) 4.16 9.98 -32.46 2 2 1 16 279.492 4 ↓

Analogs

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Popular Name: 1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanecarboxylic 1-(8-azaspiro[4.5]decan-8-ylmeth…

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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 10.95 -37.44 1 3 0 45 279.424 3 ↓

Analogs

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Popular Name: [1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexyl]methanol [1-(8-azaspiro[4.5]decan-8-ylmet…

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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) 3.58 8.01 -32.46 2 2 1 25 266.449 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanol (1S,2S)-2-(8-azaspiro[4.5]decan-…

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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 7.7 -33.44 2 2 1 25 252.422 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanol (1R,2S)-2-(8-azaspiro[4.5]decan-…

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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 7.57 -32.76 2 2 1 25 252.422 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanol (1S,2R)-2-(8-azaspiro[4.5]decan-…

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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 7.58 -32.88 2 2 1 25 252.422 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanol (1R,2R)-2-(8-azaspiro[4.5]decan-…

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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 7.7 -33.45 2 2 1 25 252.422 2 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-cyclohexanol (1S,2S,4R)-2-(8-azaspiro[4.5]dec…

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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 8.32 -34.18 2 2 1 25 266.449 2 ↓

Analogs

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Popular Name: (1S,2S,4S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-cyclohexanol (1S,2S,4S)-2-(8-azaspiro[4.5]dec…

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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 8.09 -34.28 2 2 1 25 266.449 2 ↓

Analogs

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Popular Name: (1R,2S,4R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-cyclohexanol (1R,2S,4R)-2-(8-azaspiro[4.5]dec…

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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 8.75 -30.14 2 2 1 25 266.449 2 ↓

Analogs

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Popular Name: (1R,2S,4S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-cyclohexanol (1R,2S,4S)-2-(8-azaspiro[4.5]dec…

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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 7.95 -33.33 2 2 1 25 266.449 2 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-ethyl-cyclohexanol (1S,2S,4R)-2-(8-azaspiro[4.5]dec…

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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) 4.06 8.98 -34.31 2 2 1 25 280.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-ethyl-cyclohexanol (1S,2S,4S)-2-(8-azaspiro[4.5]dec…

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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) 4.06 9.13 -29.72 2 2 1 25 280.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-ethyl-cyclohexanol (1R,2S,4R)-2-(8-azaspiro[4.5]dec…

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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) 4.06 8.82 -33.62 2 2 1 25 280.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-ethyl-cyclohexanol (1R,2S,4S)-2-(8-azaspiro[4.5]dec…

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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) 4.06 8.62 -37.41 2 2 1 25 280.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine 1-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 3.62 8.55 -31.13 3 2 1 30 251.438 2 ↓
Mid Mid (pH 6-8) 3.62 8.13 -121.81 4 2 2 32 252.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 2.40 8.03 -93.43 4 2 2 32 252.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine (1S,3R)-3-(8-azaspiro[4.5]decan-…

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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) 2.64 8.02 -98.27 4 2 2 32 252.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine (1S,3S)-3-(8-azaspiro[4.5]decan-…

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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) 2.64 8.2 -103.68 4 2 2 32 252.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine (1R,3R)-3-(8-azaspiro[4.5]decan-…

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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) 2.64 7.74 -101.4 4 2 2 32 252.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexanamine (1R,3S)-3-(8-azaspiro[4.5]decan-…

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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) 2.64 8.02 -98.23 4 2 2 32 252.446 2 ↓

Parameters Provided:

ring.id = 317652
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 = 317652 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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