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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-[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]-N-methyl-methanamine 1-[3-[[(1S,4R)-5-azabicyclo[2.2.…

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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) 2.17 8.25 -90.91 3 2 2 21 232.371 4 ↓
Hi High (pH 8-9.5) 2.17 6.81 -30.82 2 2 1 16 231.363 4 ↓

Analogs

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Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]ethanamine N-[[3-[[(1S,4R)-5-azabicyclo[2.2…

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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) 2.54 9.11 -90.62 3 2 2 21 246.398 5 ↓
Hi High (pH 8-9.5) 2.54 7.74 -30.54 2 2 1 16 245.39 5 ↓

Analogs

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Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]propan-1-amine N-[[3-[[(1S,4R)-5-azabicyclo[2.2…

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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) 3.05 9.87 -92.33 3 2 2 21 260.425 6 ↓
Hi High (pH 8-9.5) 3.05 8.51 -30.56 2 2 1 16 259.417 6 ↓

Analogs

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Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]propan-2-amine N-[[3-[[(1S,4R)-5-azabicyclo[2.2…

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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) 2.84 9.65 -89.5 3 2 2 21 260.425 5 ↓

Analogs

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Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]-2-methyl-propan-2-amine N-[[3-[[(1S,4R)-5-azabicyclo[2.2…

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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 10.06 -88.9 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]-2-methyl-propan-1-amine N-[[3-[[(1S,4R)-5-azabicyclo[2.2…

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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) 3.29 10.56 -93.1 3 2 2 21 274.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]ethanamine N-[[4-[[(1S,4R)-5-azabicyclo[2.2…

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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) 2.57 9.11 -83.75 3 2 2 21 246.398 5 ↓
Hi High (pH 8-9.5) 2.57 7.75 -31.72 2 2 1 16 245.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]propan-2-amine N-[[4-[[(1S,4R)-5-azabicyclo[2.2…

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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) 2.87 9.65 -82.94 3 2 2 21 260.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]-2-methyl-propan-2-amine N-[[4-[[(1S,4R)-5-azabicyclo[2.2…

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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) 3.38 10.07 -82.12 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]-2-methyl-propan-1-amine N-[[4-[[(1S,4R)-5-azabicyclo[2.2…

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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 10.57 -85.66 3 2 2 21 274.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]-N-methyl-methanamine 1-[2-[[(1S,4R)-5-azabicyclo[2.2.…

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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) 2.14 8.31 -105.01 3 2 2 21 232.371 4 ↓
Hi High (pH 8-9.5) 2.14 7.05 -28.29 2 2 1 16 231.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]ethanamine N-[[2-[[(1S,4R)-5-azabicyclo[2.2…

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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) 2.52 9.18 -105.14 3 2 2 21 246.398 5 ↓
Hi High (pH 8-9.5) 2.52 7.98 -28.42 2 2 1 16 245.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]propan-1-amine N-[[2-[[(1S,4R)-5-azabicyclo[2.2…

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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) 3.02 9.93 -107.03 3 2 2 21 260.425 6 ↓
Hi High (pH 8-9.5) 3.02 8.74 -28.58 2 2 1 16 259.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]propan-2-amine N-[[2-[[(1S,4R)-5-azabicyclo[2.2…

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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) 2.82 9.7 -104.25 3 2 2 21 260.425 5 ↓
Hi High (pH 8-9.5) 2.82 8.66 -28.65 2 2 1 16 259.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]-2-methyl-propan-2-amine N-[[2-[[(1S,4R)-5-azabicyclo[2.2…

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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 10.11 -101.1 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]methyl]-2-methyl-propan-1-amine N-[[2-[[(1S,4R)-5-azabicyclo[2.2…

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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) 3.27 10.62 -107.3 3 2 2 21 274.452 6 ↓
Hi High (pH 8-9.5) 3.27 9.57 -28.88 2 2 1 16 273.444 6 ↓

Analogs

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Popular Name: 4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-fluoro-aniline 4-[[(1S,4R)-5-azabicyclo[2.2.1]h…

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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 6.31 -34.2 3 2 1 30 221.299 2 ↓

Parameters Provided:

ring.id = 254557
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 = 254557 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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