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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: 4-[[3-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1-cyclopentyl-piperazin-2-one 4-[[3-[[(5R)-1-azabicyclo[3.2.1]…

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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) 3.01 11.06 -90.94 2 5 2 38 385.552 5 ↓
Hi High (pH 8-9.5) 3.01 6.07 -10.15 0 5 0 36 383.536 5 ↓
Mid Mid (pH 6-8) 3.01 8.76 -41.1 1 5 1 37 384.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1-cyclopentyl-piperazin-2-one 4-[[3-[[(5S)-1-azabicyclo[3.2.1]…

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) 3.01 11.06 -91 2 5 2 38 385.552 5 ↓
Hi High (pH 8-9.5) 3.01 6.06 -9.98 0 5 0 36 383.536 5 ↓
Mid Mid (pH 6-8) 3.01 8.75 -41.63 1 5 1 37 384.544 5 ↓

Parameters Provided:

ring.id = 539034
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 = 539034 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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