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

Analogs

19933510
19933510

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Popular Name: 1-[(4-tert-butylphenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane 1-[(4-tert-butylphenyl)methyl]-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) -0.58 8.78 -30.56 0 2 1 3 259.417 3 ↓

Analogs

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Popular Name: 1-[(3-fluorophenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane 1-[(3-fluorophenyl)methyl]-4-aza…

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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) -2.15 6.53 -34.5 0 2 1 3 221.299 2 ↓

Analogs

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Popular Name: 1-[(2,5-dimethylphenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane 1-[(2,5-dimethylphenyl)methyl]-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) -1.46 7.38 -30.55 0 2 1 3 231.363 2 ↓

Analogs

39318907
39318907
39971519
39971519

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Popular Name: 1-[(4-fluorophenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane 1-[(4-fluorophenyl)methyl]-4-aza…

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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 6.53 -35.94 0 2 1 3 221.299 2 ↓

Analogs

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Popular Name: 1-(o-tolylmethyl)-4-aza-1-azoniabicyclo[2.2.2]octane 1-(o-tolylmethyl)-4-aza-1-azonia…

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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) -1.89 6.72 -30.49 0 2 1 3 217.336 2 ↓

Analogs

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Popular Name: 3-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-N,N-dimethyl-benzenesulfonamide 3-(4-aza-1-azoniabicyclo[2.2.2]o…

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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) -3.00 4.41 -42.55 0 5 1 41 310.443 4 ↓

Analogs

21814837
21814837

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Popular Name: 1-[(5-bromo-2-fluoro-phenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane 1-[(5-bromo-2-fluoro-phenyl)meth…

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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) -1.39 6.99 -30.7 0 2 1 3 300.195 2 ↓
Mid Mid (pH 6-8) -1.39 9.5 -105.44 1 2 2 4 301.203 2 ↓

Parameters Provided:

ring.id = 175204
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 = 175204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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