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

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Popular Name: 1-[2-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]-N-methyl-methanamine 1-[2-[2-[(1S,4R)-5-azabicyclo[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) 2.43 8.1 -94.51 3 3 2 30 262.397 6 ↓
Hi High (pH 8-9.5) 2.43 6.64 -31.29 2 3 1 26 261.389 6 ↓
Hi High (pH 8-9.5) 2.43 5.81 -33.99 2 3 1 29 261.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]methyl]ethanamine N-[[2-[2-[(1S,4R)-5-azabicyclo[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) 2.80 8.97 -94.27 3 3 2 30 276.424 7 ↓
Hi High (pH 8-9.5) 2.80 6.68 -32.89 2 3 1 29 275.416 7 ↓

Analogs

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Popular Name: N-[[2-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]methyl]propan-1-amine N-[[2-[2-[(1S,4R)-5-azabicyclo[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) 3.31 9.72 -95.79 3 3 2 30 290.451 8 ↓
Hi High (pH 8-9.5) 3.31 7.43 -33.59 2 3 1 29 289.443 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]methyl]propan-2-amine N-[[2-[2-[(1S,4R)-5-azabicyclo[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) 3.10 9.49 -92.84 3 3 2 30 290.451 7 ↓
Hi High (pH 8-9.5) 3.10 7.2 -31.29 2 3 1 29 289.443 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]-N-methyl-methanamine 1-[3-[2-[(1S,4R)-5-azabicyclo[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) 2.45 8.05 -82.54 3 3 2 30 262.397 6 ↓
Hi High (pH 8-9.5) 2.45 6.61 -31.83 2 3 1 26 261.389 6 ↓
Hi High (pH 8-9.5) 2.45 5.75 -38.35 2 3 1 29 261.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]methyl]ethanamine N-[[3-[2-[(1S,4R)-5-azabicyclo[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) 2.83 8.91 -82.11 3 3 2 30 276.424 7 ↓
Hi High (pH 8-9.5) 2.83 6.61 -37.5 2 3 1 29 275.416 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]methyl]propan-1-amine N-[[3-[2-[(1S,4R)-5-azabicyclo[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) 3.33 9.66 -83.42 3 3 2 30 290.451 8 ↓
Hi High (pH 8-9.5) 3.33 7.37 -38.31 2 3 1 29 289.443 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]methyl]propan-2-amine N-[[3-[2-[(1S,4R)-5-azabicyclo[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) 3.12 9.44 -80.89 3 3 2 30 290.451 7 ↓
Hi High (pH 8-9.5) 3.12 7.15 -35.83 2 3 1 29 289.443 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]-N-methyl-methanamine 1-[4-[2-[(1S,4R)-5-azabicyclo[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) 2.48 8.05 -81 3 3 2 30 262.397 6 ↓
Hi High (pH 8-9.5) 2.48 5.75 -40.1 2 3 1 29 261.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]methyl]ethanamine N-[[4-[2-[(1S,4R)-5-azabicyclo[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) 2.85 8.91 -80.54 3 3 2 30 276.424 7 ↓
Hi High (pH 8-9.5) 2.85 6.61 -39.35 2 3 1 29 275.416 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]methyl]propan-1-amine N-[[4-[2-[(1S,4R)-5-azabicyclo[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) 3.35 9.66 -81.84 3 3 2 30 290.451 8 ↓
Hi High (pH 8-9.5) 3.35 7.37 -40.23 2 3 1 29 289.443 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]methyl]propan-2-amine N-[[4-[2-[(1S,4R)-5-azabicyclo[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) 3.15 9.44 -79.62 3 3 2 30 290.451 7 ↓
Hi High (pH 8-9.5) 3.15 7.15 -37.86 2 3 1 29 289.443 7 ↓

Parameters Provided:

ring.id = 254580
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 = 254580 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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