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Analogs

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Popular Name: (1S)-1-phenyl-2-azaspiro[4.5]decane (1S)-1-phenyl-2-azaspiro[4.5]decane

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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) 3.80 7.88 -38.03 2 1 1 17 216.348 1 ↓

Analogs

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Popular Name: (1R)-1-phenyl-2-azaspiro[4.5]decane (1R)-1-phenyl-2-azaspiro[4.5]decane

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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) 3.80 7.88 -38.05 2 1 1 17 216.348 1 ↓

Analogs

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Popular Name: (1S)-8-methyl-1-phenyl-2-azaspiro[4.5]decane (1S)-8-methyl-1-phenyl-2-azaspir…

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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) 3.57 8.47 -38.28 2 1 1 17 230.375 1 ↓

Analogs

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Popular Name: (1R)-8-methyl-1-phenyl-2-azaspiro[4.5]decane (1R)-8-methyl-1-phenyl-2-azaspir…

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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) 3.57 8.47 -38.29 2 1 1 17 230.375 1 ↓

Analogs

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Popular Name: (1S,5R,10R)-10-methyl-1-phenyl-2-azaspiro[4.5]decane (1S,5R,10R)-10-methyl-1-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) 4.04 7.99 -38.12 2 1 1 17 230.375 1 ↓

Analogs

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Popular Name: (1S,5R,10S)-10-methyl-1-phenyl-2-azaspiro[4.5]decane (1S,5R,10S)-10-methyl-1-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) 4.04 8.07 -37.76 2 1 1 17 230.375 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S,10R)-10-methyl-1-phenyl-2-azaspiro[4.5]decane (1S,5S,10R)-10-methyl-1-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) 4.04 7.98 -38.89 2 1 1 17 230.375 1 ↓

Analogs

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Popular Name: (1S,5S,10S)-10-methyl-1-phenyl-2-azaspiro[4.5]decane (1S,5S,10S)-10-methyl-1-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) 4.04 7.49 -40.17 2 1 1 17 230.375 1 ↓

Analogs

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Popular Name: (1S,5R,9R)-9-methyl-1-phenyl-2-azaspiro[4.5]decane (1S,5R,9R)-9-methyl-1-phenyl-2-a…

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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) 3.81 8.02 -38.66 2 1 1 17 230.375 1 ↓

Analogs

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Popular Name: (1S,5R,9S)-9-methyl-1-phenyl-2-azaspiro[4.5]decane (1S,5R,9S)-9-methyl-1-phenyl-2-a…

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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) 3.81 8.48 -38.31 2 1 1 17 230.375 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S,9R)-9-methyl-1-phenyl-2-azaspiro[4.5]decane (1S,5S,9R)-9-methyl-1-phenyl-2-a…

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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) 3.81 8.47 -38.46 2 1 1 17 230.375 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S,9S)-9-methyl-1-phenyl-2-azaspiro[4.5]decane (1S,5S,9S)-9-methyl-1-phenyl-2-a…

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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) 3.81 8.04 -38.84 2 1 1 17 230.375 1 ↓

Analogs

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Popular Name: (1S)-8-ethyl-1-phenyl-2-azaspiro[4.5]decane (1S)-8-ethyl-1-phenyl-2-azaspiro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.26 8.7 -38.71 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-8-ethyl-1-phenyl-2-azaspiro[4.5]decane (1R)-8-ethyl-1-phenyl-2-azaspiro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.26 9.13 -38.37 2 1 1 17 244.402 2 ↓

Analogs

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Popular Name: (1R)-1-benzyl-8-methyl-2-azaspiro[4.5]decane (1R)-1-benzyl-8-methyl-2-azaspir…

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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 9.42 -37.76 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-benzyl-8-methyl-2-azaspiro[4.5]decane (1S)-1-benzyl-8-methyl-2-azaspir…

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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 9.42 -37.73 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,10R)-1-benzyl-10-methyl-2-azaspiro[4.5]decane (1R,5R,10R)-1-benzyl-10-methyl-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) 4.25 9.04 -37.63 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,10S)-1-benzyl-10-methyl-2-azaspiro[4.5]decane (1R,5R,10S)-1-benzyl-10-methyl-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) 4.25 9.02 -37.59 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,10R)-1-benzyl-10-methyl-2-azaspiro[4.5]decane (1R,5S,10R)-1-benzyl-10-methyl-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) 4.25 8.96 -38.07 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,10S)-1-benzyl-10-methyl-2-azaspiro[4.5]decane (1R,5S,10S)-1-benzyl-10-methyl-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) 4.25 8.93 -31.58 2 1 1 17 244.402 2 ↓

Analogs

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Popular Name: (1R,5R,9R)-1-benzyl-9-methyl-2-azaspiro[4.5]decane (1R,5R,9R)-1-benzyl-9-methyl-2-a…

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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) 4.02 9.4 -33.86 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,9S)-1-benzyl-9-methyl-2-azaspiro[4.5]decane (1R,5R,9S)-1-benzyl-9-methyl-2-a…

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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) 4.02 9.43 -37.85 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,9R)-1-benzyl-9-methyl-2-azaspiro[4.5]decane (1R,5S,9R)-1-benzyl-9-methyl-2-a…

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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) 4.02 9.42 -37.88 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,9S)-1-benzyl-9-methyl-2-azaspiro[4.5]decane (1R,5S,9S)-1-benzyl-9-methyl-2-a…

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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) 4.02 9.41 -33.95 2 1 1 17 244.402 2 ↓

Analogs

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Popular Name: (1R)-1-benzyl-2-azaspiro[4.5]decane (1R)-1-benzyl-2-azaspiro[4.5]decane

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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) 4.01 8.84 -37.38 2 1 1 17 230.375 2 ↓

Analogs

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Popular Name: (1S)-1-benzyl-2-azaspiro[4.5]decane (1S)-1-benzyl-2-azaspiro[4.5]decane

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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) 4.01 8.84 -37.36 2 1 1 17 230.375 2 ↓

Analogs

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Popular Name: (1R)-8-propyl-3-azaspiro[4.5]decane-1-carboxylic (1R)-8-propyl-3-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) 2.58 6.81 -57.48 2 3 0 57 225.332 3 ↓
Hi High (pH 8-9.5) 2.58 5.35 -47.15 1 3 -1 52 224.324 3 ↓

Analogs

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Popular Name: (1S)-8-propyl-3-azaspiro[4.5]decane-1-carboxylic (1S)-8-propyl-3-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) 2.58 6.81 -57.48 2 3 0 57 225.332 3 ↓
Hi High (pH 8-9.5) 2.58 5.35 -48.44 1 3 -1 52 224.324 3 ↓

Analogs

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Popular Name: (1R,5R,7R)-7,9,9-trimethyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5R,7R)-7,9,9-trimethyl-3-aza…

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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) 2.22 6.08 -49.85 2 3 0 57 225.332 1 ↓
Hi High (pH 8-9.5) 2.22 4.83 -42.9 1 3 -1 52 224.324 1 ↓

Analogs

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Popular Name: (1R,5R,7S)-7,9,9-trimethyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5R,7S)-7,9,9-trimethyl-3-aza…

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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) 2.22 6.4 -55.95 2 3 0 57 225.332 1 ↓
Hi High (pH 8-9.5) 2.22 4.92 -47.57 1 3 -1 52 224.324 1 ↓

Analogs

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Popular Name: (1R,5S,7R)-7,9,9-trimethyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5S,7R)-7,9,9-trimethyl-3-aza…

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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) 2.22 6.09 -57.81 2 3 0 57 225.332 1 ↓
Hi High (pH 8-9.5) 2.22 4.63 -48.58 1 3 -1 52 224.324 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,7S)-7,9,9-trimethyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5S,7S)-7,9,9-trimethyl-3-aza…

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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) 2.22 6.44 -49.19 2 3 0 57 225.332 1 ↓
Hi High (pH 8-9.5) 2.22 5.03 -45.59 1 3 -1 52 224.324 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-8-ethyl-3-azaspiro[4.5]decane-1-carboxylic (1R)-8-ethyl-3-azaspiro[4.5]deca…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 5.94 -54.64 2 3 0 57 211.305 2 ↓
Hi High (pH 8-9.5) 2.02 4.49 -44.19 1 3 -1 52 210.297 2 ↓

Analogs

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Popular Name: (1S)-8-ethyl-3-azaspiro[4.5]decane-1-carboxylic (1S)-8-ethyl-3-azaspiro[4.5]deca…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 6.06 -57.47 2 3 0 57 211.305 2 ↓
Hi High (pH 8-9.5) 2.02 4.6 -48.41 1 3 -1 52 210.297 2 ↓

Analogs

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Popular Name: (1R,5R,10R)-10-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5R,10R)-10-methyl-3-azaspiro…

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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) 1.80 5.04 -57.03 2 3 0 57 197.278 1 ↓

Analogs

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Popular Name: (1R,5R,10S)-10-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5R,10S)-10-methyl-3-azaspiro…

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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) 1.80 5.32 -56.03 2 3 0 57 197.278 1 ↓

Analogs

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Popular Name: (1R,5S,10R)-10-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5S,10R)-10-methyl-3-azaspiro…

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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) 1.80 4.98 -54.25 2 3 0 57 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,10S)-10-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5S,10S)-10-methyl-3-azaspiro…

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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) 1.80 4.38 -51.52 2 3 0 57 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-8-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R)-8-methyl-3-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) 1.34 5.28 -54.39 2 3 0 57 197.278 1 ↓
Hi High (pH 8-9.5) 1.34 3.84 -43.87 1 3 -1 52 196.27 1 ↓

Analogs

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Popular Name: (1S)-8-methyl-3-azaspiro[4.5]decane-1-carboxylic (1S)-8-methyl-3-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) 1.34 5.28 -54.4 2 3 0 57 197.278 1 ↓
Hi High (pH 8-9.5) 1.34 3.84 -45.07 1 3 -1 52 196.27 1 ↓

Analogs

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Popular Name: (1R)-8-isopropyl-3-azaspiro[4.5]decane-1-carboxylic (1R)-8-isopropyl-3-azaspiro[4.5]…

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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) 2.84 6.4 -54.17 2 3 0 57 225.332 2 ↓

Analogs

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Popular Name: (1S)-8-isopropyl-3-azaspiro[4.5]decane-1-carboxylic (1S)-8-isopropyl-3-azaspiro[4.5]…

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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) 2.84 6.51 -57.59 2 3 0 57 225.332 2 ↓

Analogs

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Popular Name: (1R,5S,9R)-9-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5S,9R)-9-methyl-3-azaspiro[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 5.28 -53.53 2 3 0 57 197.278 1 ↓
Hi High (pH 8-9.5) 1.57 3.83 -43.46 1 3 -1 52 196.27 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,9S)-9-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5S,9S)-9-methyl-3-azaspiro[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 5.41 -57.6 2 3 0 57 197.278 1 ↓
Hi High (pH 8-9.5) 1.57 3.95 -47.6 1 3 -1 52 196.27 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,9R)-9-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5R,9R)-9-methyl-3-azaspiro[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 5.4 -57.16 2 3 0 57 197.278 1 ↓
Hi High (pH 8-9.5) 1.57 3.94 -47 1 3 -1 52 196.27 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,9S)-9-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5R,9S)-9-methyl-3-azaspiro[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 5.27 -54.8 2 3 0 57 197.278 1 ↓
Hi High (pH 8-9.5) 1.57 3.82 -43.89 1 3 -1 52 196.27 1 ↓

Analogs

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Popular Name: (1R)-1-isobutyl-2-azaspiro[4.5]decane (1R)-1-isobutyl-2-azaspiro[4.5]d…

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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) 3.86 7.17 -36.43 2 1 1 17 196.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-isobutyl-2-azaspiro[4.5]decane (1S)-1-isobutyl-2-azaspiro[4.5]d…

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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) 3.86 7.13 -36.48 2 1 1 17 196.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-isobutyl-8-methyl-2-azaspiro[4.5]decane (1R)-1-isobutyl-8-methyl-2-azasp…

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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) 3.63 7.75 -36.69 2 1 1 17 210.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-isobutyl-8-methyl-2-azaspiro[4.5]decane (1S)-1-isobutyl-8-methyl-2-azasp…

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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) 3.63 7.8 -35.76 2 1 1 17 210.385 2 ↓

Parameters Provided:

ring.id = 139474
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 = 139474 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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