UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48816852
48816852
48816856
48816856
58223121
58223121
34428948
34428948
34428949
34428949

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Popular Name: (2S)-3-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-2-benzyl-3-oxo-propanenitrile (2S)-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) 2.52 8.66 -8.83 0 3 0 44 254.333 3 ↓

Analogs

48816852
48816852
48816856
48816856
58223121
58223121
34428948
34428948
34428949
34428949

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-2-benzyl-3-oxo-propanenitrile (2R)-3-[(1S,4R)-5-azabicyclo[2.2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.52 8.67 -8.23 0 3 0 44 254.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one 1-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 3.45 9.44 -12.69 0 4 0 39 357.372 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,4S)-5-azabicyclo[2.2.1]heptan-5-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one 1-[(1R,4S)-5-azabicyclo[2.2.1]he…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.45 9.47 -12.74 0 4 0 39 357.372 7 ↓

Parameters Provided:

ring.id = 10356
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 = 10356 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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