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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]aniline 4-[2-(8-azaspiro[4.5]decan-8-yl)…

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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) 3.11 9.16 -36.52 3 2 1 30 259.417 3 ↓

Analogs

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Popular Name: (1S)-1-(3-aminophenyl)-2-(8-azaspiro[4.5]decan-8-yl)ethanol (1S)-1-(3-aminophenyl)-2-(8-azas…

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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) 2.09 6.06 -37.03 4 3 1 51 275.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-aminophenyl)-2-(8-azaspiro[4.5]decan-8-yl)ethanol (1R)-1-(3-aminophenyl)-2-(8-azas…

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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) 2.09 6.12 -37.02 4 3 1 51 275.416 3 ↓

Analogs

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Popular Name: (1S)-1-(2-aminophenyl)-2-(8-azaspiro[4.5]decan-8-yl)ethanol (1S)-1-(2-aminophenyl)-2-(8-azas…

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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) 2.48 6.22 -37.52 4 3 1 51 275.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-aminophenyl)-2-(8-azaspiro[4.5]decan-8-yl)ethanol (1R)-1-(2-aminophenyl)-2-(8-azas…

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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) 2.48 6.26 -37.67 4 3 1 51 275.416 3 ↓

Analogs

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Popular Name: (1S)-1-(4-aminophenyl)-2-(8-azaspiro[4.5]decan-8-yl)ethanol (1S)-1-(4-aminophenyl)-2-(8-azas…

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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) 2.12 6.1 -36.66 4 3 1 51 275.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-aminophenyl)-2-(8-azaspiro[4.5]decan-8-yl)ethanol (1R)-1-(4-aminophenyl)-2-(8-azas…

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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) 2.12 6.13 -36.56 4 3 1 51 275.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]aniline 2-[2-(8-azaspiro[4.5]decan-8-yl)…

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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) 3.47 9.26 -37.92 3 2 1 30 259.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-phenyl-propan-1-amine (2S)-3-(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) 3.10 9.11 -123.15 4 2 2 32 274.452 4 ↓
Mid Mid (pH 6-8) 3.10 8.73 -32.91 3 2 1 30 273.444 4 ↓
Mid Mid (pH 6-8) 3.10 7.1 -48.76 3 2 1 31 273.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-phenyl-propan-1-amine (2R)-3-(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) 3.10 9.06 -113.09 4 2 2 32 274.452 4 ↓
Mid Mid (pH 6-8) 3.10 7.28 -40.77 3 2 1 31 273.444 4 ↓
Mid Mid (pH 6-8) 3.10 8.68 -33.44 3 2 1 30 273.444 4 ↓

Analogs

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Popular Name: (1S)-1-[4-(aminomethyl)phenyl]-2-(8-azaspiro[4.5]decan-8-yl)ethanol (1S)-1-[4-(aminomethyl)phenyl]-2…

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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 6.27 -90.49 5 3 2 52 290.451 4 ↓
Hi High (pH 8-9.5) 2.23 5.86 -37.89 4 3 1 51 289.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(aminomethyl)phenyl]-2-(8-azaspiro[4.5]decan-8-yl)ethanol (1R)-1-[4-(aminomethyl)phenyl]-2…

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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 6.29 -92.7 5 3 2 52 290.451 4 ↓
Hi High (pH 8-9.5) 2.23 5.89 -37.57 4 3 1 51 289.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-butan-1-amine (2S,3S)-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) 3.62 9.9 -130.11 4 2 2 32 288.479 4 ↓
Mid Mid (pH 6-8) 3.62 9.93 -33.7 3 2 1 30 287.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-butan-1-amine (2S,3R)-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) 3.62 9.16 -128.07 4 2 2 32 288.479 4 ↓
Mid Mid (pH 6-8) 3.62 9.57 -31.96 3 2 1 30 287.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-butan-1-amine (2R,3S)-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) 3.62 9.63 -126.17 4 2 2 32 288.479 4 ↓
Mid Mid (pH 6-8) 3.62 9.49 -32.43 3 2 1 30 287.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-butan-1-amine (2R,3R)-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) 3.62 10.07 -126.28 4 2 2 32 288.479 4 ↓
Mid Mid (pH 6-8) 3.62 9.79 -35.33 3 2 1 30 287.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-propan-1-amine (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) 2.82 8.31 -128.69 4 2 2 32 274.452 4 ↓
Mid Mid (pH 6-8) 2.82 7.95 -30.5 3 2 1 30 273.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-propan-1-amine (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) 2.82 8.28 -128.84 4 2 2 32 274.452 4 ↓
Mid Mid (pH 6-8) 2.82 9.19 -30.17 3 2 1 30 273.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanamine (1S)-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) 2.26 9.99 -37.06 3 2 1 30 287.471 4 ↓
Lo Low (pH 4.5-6) 2.26 10.32 -133.02 4 2 2 32 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanamine (1R)-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) 2.26 9.9 -33.32 3 2 1 30 287.471 4 ↓
Lo Low (pH 4.5-6) 2.26 10.31 -132.89 4 2 2 32 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-butan-1-amine (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) 2.21 8.61 -30.72 3 2 1 30 287.471 4 ↓
Mid Mid (pH 6-8) 2.21 8.93 -116.68 4 2 2 32 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-butan-1-amine (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) 2.21 9.49 -35.45 3 2 1 30 287.471 4 ↓
Mid Mid (pH 6-8) 2.21 9.81 -126.52 4 2 2 32 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-butan-1-amine (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) 2.21 9.72 -31.75 3 2 1 30 287.471 4 ↓
Mid Mid (pH 6-8) 2.21 9.39 -130.25 4 2 2 32 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-butan-1-amine (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) 2.21 8.64 -29.24 3 2 1 30 287.471 4 ↓
Mid Mid (pH 6-8) 2.21 9.03 -116.87 4 2 2 32 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-N-methyl-1-phenyl-ethanamine (1R)-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) 3.60 8.97 -34.78 2 2 1 16 273.444 4 ↓
Mid Mid (pH 6-8) 3.60 10.34 -116.95 3 2 2 21 274.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-N-methyl-1-phenyl-ethanamine (1S)-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) 3.60 9.48 -33.21 2 2 1 16 273.444 4 ↓
Mid Mid (pH 6-8) 3.60 10.63 -124.46 3 2 2 21 274.452 4 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanamine (1S)-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) 2.17 9.74 -37.13 3 2 1 30 287.471 3 ↓
Lo Low (pH 4.5-6) 2.17 10.08 -133.37 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanamine (1R)-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) 2.17 9.68 -33.34 3 2 1 30 287.471 3 ↓
Lo Low (pH 4.5-6) 2.17 10.09 -133.08 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(o-tolyl)ethanamine (1S)-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) 1.74 9.03 -37.91 3 2 1 30 273.444 3 ↓
Lo Low (pH 4.5-6) 1.74 9.36 -133.46 4 2 2 32 274.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(o-tolyl)ethanamine (1R)-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) 1.74 9.01 -34.26 3 2 1 30 273.444 3 ↓
Lo Low (pH 4.5-6) 1.74 9.35 -133.85 4 2 2 32 274.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(p-tolyl)propan-1-amine (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) 2.12 9.17 -31.99 3 2 1 30 287.471 3 ↓
Lo Low (pH 4.5-6) 2.12 9.49 -118.46 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(p-tolyl)propan-1-amine (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) 2.12 9.28 -31.61 3 2 1 30 287.471 3 ↓
Lo Low (pH 4.5-6) 2.12 9.51 -119.83 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(p-tolyl)propan-1-amine (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) 2.12 9.17 -32.34 3 2 1 30 287.471 3 ↓
Lo Low (pH 4.5-6) 2.12 9.5 -119.7 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(p-tolyl)propan-1-amine (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) 2.12 9.28 -30.58 3 2 1 30 287.471 3 ↓
Lo Low (pH 4.5-6) 2.12 9.52 -118.53 4 2 2 32 288.479 3 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(4-methoxyphenyl)ethanamine (1S)-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) 1.40 7.85 -40.1 3 3 1 40 289.443 4 ↓
Lo Low (pH 4.5-6) 1.40 8.17 -136.41 4 3 2 41 290.451 4 ↓

Analogs

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Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(4-methoxyphenyl)ethanamine (1R)-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) 1.40 7.77 -36.3 3 3 1 40 289.443 4 ↓
Lo Low (pH 4.5-6) 1.40 8.16 -136.26 4 3 2 41 290.451 4 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)ethanamine (1S)-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) 1.38 7.76 -34.98 3 3 1 40 289.443 4 ↓
Lo Low (pH 4.5-6) 1.38 8.16 -134.31 4 3 2 41 290.451 4 ↓

Analogs

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Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)ethanamine (1R)-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) 1.38 7.83 -38.63 3 3 1 40 289.443 4 ↓
Lo Low (pH 4.5-6) 1.38 8.16 -134.31 4 3 2 41 290.451 4 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(p-tolyl)ethanamine (1S)-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) 1.79 9.15 -33.52 3 2 1 30 273.444 3 ↓
Lo Low (pH 4.5-6) 1.79 9.55 -132.79 4 2 2 32 274.452 3 ↓

Analogs

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Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(p-tolyl)ethanamine (1R)-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) 1.79 9.22 -37.13 3 2 1 30 273.444 3 ↓
Lo Low (pH 4.5-6) 1.79 9.55 -132.71 4 2 2 32 274.452 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-propan-1-amine (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) 1.67 8.51 -31.92 3 2 1 30 273.444 3 ↓
Lo Low (pH 4.5-6) 1.67 8.83 -117.57 4 2 2 32 274.452 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-propan-1-amine (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) 1.67 8.51 -32.58 3 2 1 30 273.444 3 ↓
Lo Low (pH 4.5-6) 1.67 8.83 -119.21 4 2 2 32 274.452 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-propan-1-amine (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) 1.67 8.59 -31.72 3 2 1 30 273.444 3 ↓
Lo Low (pH 4.5-6) 1.67 8.83 -119.53 4 2 2 32 274.452 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-propan-1-amine (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) 1.67 8.58 -30.51 3 2 1 30 273.444 3 ↓
Lo Low (pH 4.5-6) 1.67 8.81 -117.73 4 2 2 32 274.452 3 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(2,5-dimethylphenyl)ethanamine (1S)-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) 2.17 9.77 -37.86 3 2 1 30 287.471 3 ↓
Lo Low (pH 4.5-6) 2.17 10.09 -134.29 4 2 2 32 288.479 3 ↓

Analogs

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Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(2,5-dimethylphenyl)ethanamine (1R)-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) 2.17 9.63 -34.39 3 2 1 30 287.471 3 ↓
Lo Low (pH 4.5-6) 2.17 9.99 -134.94 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-ethanamine (1S)-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) 1.34 8.51 -37.28 3 2 1 30 259.417 3 ↓
Lo Low (pH 4.5-6) 1.34 8.85 -132.62 4 2 2 32 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-ethanamine (1R)-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) 1.34 8.46 -33.49 3 2 1 30 259.417 3 ↓
Lo Low (pH 4.5-6) 1.34 8.84 -132.56 4 2 2 32 260.425 3 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)ethanamine (1S)-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) 1.35 7.96 -34.69 3 3 1 40 289.443 4 ↓
Lo Low (pH 4.5-6) 1.35 8.27 -126.99 4 3 2 41 290.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)ethanamine (1R)-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) 1.35 7.9 -30.89 3 3 1 40 289.443 4 ↓
Lo Low (pH 4.5-6) 1.35 8.27 -127.37 4 3 2 41 290.451 4 ↓

Parameters Provided:

ring.id = 317402
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 = 317402 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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