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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: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-4-fluoro-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 2.88 7.42 -39.66 2 2 1 16 235.326 4 ↓

Analogs

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Popular Name: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2-bromo-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 3.48 8.07 -36.29 2 2 1 16 296.232 4 ↓

Analogs

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Popular Name: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2-chloro-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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 7.96 -36.22 2 2 1 16 251.781 4 ↓

Analogs

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Popular Name: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-3-methyl-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 3.14 8.02 -35.76 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]ethyl]-4-methyl-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 3.17 8.03 -35.73 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]ethyl]-4-chloro-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 3.40 7.87 -38.54 2 2 1 16 251.781 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 7.46 -36.99 2 2 1 16 235.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-3-chloro-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 3.37 7.86 -36.67 2 2 1 16 251.781 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-3-fluoro-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 2.86 7.42 -37.51 2 2 1 16 235.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-3-bromo-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 3.50 7.97 -36.63 2 2 1 16 296.232 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8.15 -36.19 2 2 1 16 231.363 4 ↓

Analogs

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Popular Name: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-4-bromo-aniline N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 3.53 7.98 -38.66 2 2 1 16 296.232 4 ↓

Parameters Provided:

ring.id = 59856
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 = 59856 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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