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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]-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) 1.38 6.47 -103.16 3 3 2 34 222.332 4 ↓

Analogs

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Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]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) 1.75 7.33 -103.51 3 3 2 34 236.359 5 ↓

Analogs

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Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]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) 2.26 8.08 -105.27 3 3 2 34 250.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]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) 2.05 7.84 -102.85 3 3 2 34 250.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]methanamine [3-[[(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) 1.00 4.6 -109.14 4 3 2 45 208.305 3 ↓

Analogs

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Popular Name: [4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-5-methyl-2-furyl]methanamine [4-[[(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) 1.23 5.45 -93.26 4 3 2 45 222.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[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) 1.60 7.32 -88.44 3 3 2 34 236.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-5-methyl-2-furyl]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) 1.98 8.16 -88.1 3 3 2 34 250.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-5-methyl-2-furyl]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) 2.48 8.91 -89.56 3 3 2 34 264.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-5-methyl-2-furyl]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) 2.27 8.69 -86.84 3 3 2 34 264.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-am 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) 2.78 9.11 -86.06 3 3 2 34 278.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-am 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) 2.72 9.63 -90.21 3 3 2 34 278.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]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) 2.50 8.77 -106.67 3 3 2 34 264.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]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) 2.56 8.28 -100.31 3 3 2 34 264.413 5 ↓

Parameters Provided:

ring.id = 254572
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 = 254572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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