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

Analogs

11976919
11976919

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Popular Name: [(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-[4-[(2,3-dimethoxyphenyl)methylamino]-5-methyl-thieno[4,5-e [(1S,4R)-5-azabicyclo[2.2.1]hept…

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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) 3.44 -1.08 -12.3 1 7 0 77 438.553 6 ↓

Analogs

11976913
11976913

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Popular Name: [(1R,4S)-5-azabicyclo[2.2.1]heptan-5-yl]-[4-[(2,3-dimethoxyphenyl)methylamino]-5-methyl-thieno[4,5-e [(1R,4S)-5-azabicyclo[2.2.1]hept…

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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) 3.44 -1.15 -12.32 1 7 0 77 438.553 6 ↓

Analogs

12000504
12000504

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Popular Name: [(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-[4-[(2-fluorophenyl)methylamino]-5-methyl-thieno[4,5-e]pyri [(1S,4R)-5-azabicyclo[2.2.1]hept…

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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) 3.74 -1.43 -10.89 1 5 0 58 396.491 4 ↓

Analogs

12000498
12000498

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Popular Name: [(1R,4S)-5-azabicyclo[2.2.1]heptan-5-yl]-[4-[(2-fluorophenyl)methylamino]-5-methyl-thieno[4,5-e]pyri [(1R,4S)-5-azabicyclo[2.2.1]hept…

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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) 3.74 -1.42 -10.97 1 5 0 58 396.491 4 ↓

Analogs

12021418
12021418

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Popular Name: [(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-[4-[(2-methoxyphenyl)methylamino]-5-methyl-thieno[4,5-e]pyr [(1S,4R)-5-azabicyclo[2.2.1]hept…

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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) 3.63 -2.06 -10.75 1 6 0 67 408.527 5 ↓

Analogs

12021416
12021416

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,4S)-5-azabicyclo[2.2.1]heptan-5-yl]-[4-[(2-methoxyphenyl)methylamino]-5-methyl-thieno[4,5-e]pyr [(1R,4S)-5-azabicyclo[2.2.1]hept…

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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) 3.63 -2.05 -10.79 1 6 0 67 408.527 5 ↓

Parameters Provided:

ring.id = 63144
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 = 63144 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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