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Popular Name: (7R,8S)-7-(4-propylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(4-propylphenoxy)-1,4-…

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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) 2.70 6.45 -45.35 3 4 1 55 292.399 4 ↓
Hi High (pH 8-9.5) 2.70 6.42 -5.53 2 4 0 54 291.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(4-propylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(4-propylphenoxy)-1,4-…

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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) 2.70 5.67 -42.53 3 4 1 55 292.399 4 ↓
Hi High (pH 8-9.5) 2.70 5.66 -4.02 2 4 0 54 291.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(4-propylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-7-(4-propylphenoxy)-1,4-…

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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) 2.70 5.67 -42.34 3 4 1 55 292.399 4 ↓
Hi High (pH 8-9.5) 2.70 5.6 -5.03 2 4 0 54 291.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(4-propylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8R)-7-(4-propylphenoxy)-1,4-…

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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) 2.70 6.43 -45.42 3 4 1 55 292.399 4 ↓
Hi High (pH 8-9.5) 2.70 5.46 -5.08 2 4 0 54 291.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(4-propylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8S)-7-(4-propylphenoxy)-1,4-…

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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) 3.19 5.58 -7 1 4 0 48 292.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(4-propylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8S)-7-(4-propylphenoxy)-1,4-…

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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) 3.19 5.77 -6.32 1 4 0 48 292.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(4-propylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8R)-7-(4-propylphenoxy)-1,4-…

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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) 3.19 5.75 -6.73 1 4 0 48 292.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(4-propylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8R)-7-(4-propylphenoxy)-1,4-…

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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) 3.19 5.59 -7.01 1 4 0 48 292.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-9-(2,3-difluorophenoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (8R,9S)-9-(2,3-difluorophenoxy)-…

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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) 2.53 6.06 -46.01 2 4 1 44 300.325 3 ↓
Hi High (pH 8-9.5) 2.53 4.79 -9.91 1 4 0 40 299.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-9-(2,3-difluorophenoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (8S,9S)-9-(2,3-difluorophenoxy)-…

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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) 2.53 5.32 -41.03 2 4 1 44 300.325 3 ↓
Hi High (pH 8-9.5) 2.53 4.01 -9.11 1 4 0 40 299.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-9-(2,3-difluorophenoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (8R,9R)-9-(2,3-difluorophenoxy)-…

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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) 2.53 5.32 -40.88 2 4 1 44 300.325 3 ↓
Hi High (pH 8-9.5) 2.53 4.07 -7.22 1 4 0 40 299.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R)-9-(2,3-difluorophenoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (8S,9R)-9-(2,3-difluorophenoxy)-…

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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) 2.53 6.07 -46.04 2 4 1 44 300.325 3 ↓
Hi High (pH 8-9.5) 2.53 4.8 -8.23 1 4 0 40 299.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(2,3-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(2,3-difluorophenoxy)-…

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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) 1.62 4.36 -51.4 3 4 1 55 286.298 2 ↓
Hi High (pH 8-9.5) 1.62 4.33 -10.92 2 4 0 54 285.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(2,3-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(2,3-difluorophenoxy)-…

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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) 1.62 3.59 -46.33 3 4 1 55 286.298 2 ↓
Hi High (pH 8-9.5) 1.62 3.62 -7.21 2 4 0 54 285.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(2,3-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-7-(2,3-difluorophenoxy)-…

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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) 1.62 3.59 -46.05 3 4 1 55 286.298 2 ↓
Hi High (pH 8-9.5) 1.62 3.51 -9.36 2 4 0 54 285.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(2,3-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8R)-7-(2,3-difluorophenoxy)-…

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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) 1.62 4.37 -51.37 3 4 1 55 286.298 2 ↓
Hi High (pH 8-9.5) 1.62 3.35 -9.52 2 4 0 54 285.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(2,3-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8S)-7-(2,3-difluorophenoxy)-…

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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 3.5 -11.7 1 4 0 48 286.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(2,3-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8S)-7-(2,3-difluorophenoxy)-…

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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 3.67 -9.51 1 4 0 48 286.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(2,3-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8R)-7-(2,3-difluorophenoxy)-…

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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 3.65 -9.32 1 4 0 48 286.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(2,3-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8R)-7-(2,3-difluorophenoxy)-…

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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 3.5 -12.09 1 4 0 48 286.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-9-(3,5-difluorophenoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (8R,9S)-9-(3,5-difluorophenoxy)-…

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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) 2.56 6.05 -44.03 2 4 1 44 300.325 3 ↓
Hi High (pH 8-9.5) 2.56 4.78 -4.44 1 4 0 40 299.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-9-(3,5-difluorophenoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (8S,9S)-9-(3,5-difluorophenoxy)-…

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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) 2.56 5.32 -41.06 2 4 1 44 300.325 3 ↓
Hi High (pH 8-9.5) 2.56 4.01 -4.08 1 4 0 40 299.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-9-(3,5-difluorophenoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (8R,9R)-9-(3,5-difluorophenoxy)-…

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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) 2.56 5.32 -41.22 2 4 1 44 300.325 3 ↓
Hi High (pH 8-9.5) 2.56 4.07 -3.45 1 4 0 40 299.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R)-9-(3,5-difluorophenoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (8S,9R)-9-(3,5-difluorophenoxy)-…

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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) 2.56 6.08 -44 2 4 1 44 300.325 3 ↓
Hi High (pH 8-9.5) 2.56 4.81 -3.71 1 4 0 40 299.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(3,5-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(3,5-difluorophenoxy)-…

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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) 1.65 4.37 -49.7 3 4 1 55 286.298 2 ↓
Hi High (pH 8-9.5) 1.65 4.35 -5 2 4 0 54 285.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(3,5-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(3,5-difluorophenoxy)-…

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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) 1.65 3.59 -46.46 3 4 1 55 286.298 2 ↓
Hi High (pH 8-9.5) 1.65 3.57 -3.58 2 4 0 54 285.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(3,5-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-7-(3,5-difluorophenoxy)-…

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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) 1.65 3.58 -46.37 3 4 1 55 286.298 2 ↓
Hi High (pH 8-9.5) 1.65 3.51 -4.05 2 4 0 54 285.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(3,5-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8R)-7-(3,5-difluorophenoxy)-…

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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) 1.65 4.38 -49.92 3 4 1 55 286.298 2 ↓
Hi High (pH 8-9.5) 1.65 3.36 -4.23 2 4 0 54 285.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(3,5-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8S)-7-(3,5-difluorophenoxy)-…

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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) 2.14 3.5 -5.72 1 4 0 48 286.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(3,5-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8S)-7-(3,5-difluorophenoxy)-…

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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) 2.14 3.69 -5.27 1 4 0 48 286.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(3,5-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8R)-7-(3,5-difluorophenoxy)-…

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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) 2.14 3.65 -5.42 1 4 0 48 286.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(3,5-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8R)-7-(3,5-difluorophenoxy)-…

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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) 2.14 3.51 -5.78 1 4 0 48 286.274 2 ↓

Analogs

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Popular Name: (7R,8S)-7-[3-(methoxymethyl)phenoxy]-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-[3-(methoxymethyl)phen…

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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) 1.32 3.96 -46.66 3 5 1 65 294.371 4 ↓
Hi High (pH 8-9.5) 1.32 3.92 -6.91 2 5 0 63 293.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-[3-(methoxymethyl)phenoxy]-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-[3-(methoxymethyl)phen…

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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) 1.32 3.18 -43.54 3 5 1 65 294.371 4 ↓
Hi High (pH 8-9.5) 1.32 3.17 -5.77 2 5 0 63 293.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-[3-(methoxymethyl)phenoxy]-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-7-[3-(methoxymethyl)phen…

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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) 1.32 3.18 -43.42 3 5 1 65 294.371 4 ↓
Hi High (pH 8-9.5) 1.32 3.11 -6.59 2 5 0 63 293.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-[3-(methoxymethyl)phenoxy]-1,4-dioxaspiro[4.5]decan-8-amine (7S,8R)-7-[3-(methoxymethyl)phen…

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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) 1.32 3.94 -45.97 3 5 1 65 294.371 4 ↓
Hi High (pH 8-9.5) 1.32 2.98 -6.88 2 5 0 63 293.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-[3-(methoxymethyl)phenoxy]-1,4-dioxaspiro[4.5]decan-8-ol (7R,8S)-7-[3-(methoxymethyl)phen…

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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) 1.82 3.1 -8.54 1 5 0 57 294.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-[3-(methoxymethyl)phenoxy]-1,4-dioxaspiro[4.5]decan-8-ol (7S,8S)-7-[3-(methoxymethyl)phen…

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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) 1.82 3.28 -7.94 1 5 0 57 294.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-[3-(methoxymethyl)phenoxy]-1,4-dioxaspiro[4.5]decan-8-ol (7R,8R)-7-[3-(methoxymethyl)phen…

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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) 1.82 3.24 -8.3 1 5 0 57 294.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-[3-(methoxymethyl)phenoxy]-1,4-dioxaspiro[4.5]decan-8-ol (7S,8R)-7-[3-(methoxymethyl)phen…

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) 1.82 3.1 -8.93 1 5 0 57 294.347 4 ↓

Parameters Provided:

ring.id = 44156
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 = 44156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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