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

Analogs

37878116
37878116
37878117
37878117
37878122
37878122
37878123
37878123
53118394
53118394

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(9-azaspiro[5.5]undecan-3-ylamino)-1-(2-chlorophenyl)ethanol (1S)-2-(9-azaspiro[5.5]undecan-3…

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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) 2.38 5.89 -94.11 5 3 2 53 324.896 4 ↓
Hi High (pH 8-9.5) 2.38 4.73 -42.6 4 3 1 49 323.888 4 ↓

Analogs

37878116
37878116
37878117
37878117
37878122
37878122
37878123
37878123
53118394
53118394

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(9-azaspiro[5.5]undecan-3-ylamino)-1-(2-chlorophenyl)ethanol (1R)-2-(9-azaspiro[5.5]undecan-3…

Find On: PubMed — Wikipedia — Google

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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) 2.38 5.92 -93.46 5 3 2 53 324.896 4 ↓
Hi High (pH 8-9.5) 2.38 4.68 -41.05 4 3 1 49 323.888 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-9-azaspiro[5.5]undecan-3-amine N-[2-(2,3-dimethoxyphenyl)ethyl]…

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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 7.84 -96.83 4 4 2 52 334.504 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-fluorophenyl)ethyl]-9-azaspiro[5.5]undecan-3-amine N-[2-(3-fluorophenyl)ethyl]-9-az…

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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 8.6 -100.35 4 2 2 33 292.442 4 ↓

Parameters Provided:

ring.id = 527126
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 = 527126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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