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

Analogs

60219328
60219328
60219331
60219331
60219333
60219333

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-[2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]quinuclidin-3-ol (2R,3R)-2-[2-[4-(5-ethyl-1,3,4-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) 2.12 4.2 -43.44 2 5 1 64 324.404 2 ↓
Hi High (pH 8-9.5) 2.12 1.85 -8.96 1 5 0 62 323.396 2 ↓

Analogs

60219331
60219331
60219333
60219333
60219326
60219326

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-[2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]quinuclidin-3-ol (2S,3R)-2-[2-[4-(5-ethyl-1,3,4-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) 2.12 3.98 -42.93 2 5 1 64 324.404 2 ↓
Hi High (pH 8-9.5) 2.12 1.63 -8.95 1 5 0 62 323.396 2 ↓

Analogs

60219333
60219333
60219326
60219326
60219328
60219328

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-[2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]quinuclidin-3-ol (2R,3S)-2-[2-[4-(5-ethyl-1,3,4-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) 2.12 4 -42.36 2 5 1 64 324.404 2 ↓
Hi High (pH 8-9.5) 2.12 1.62 -8.91 1 5 0 62 323.396 2 ↓

Analogs

60219326
60219326
60219328
60219328
60219331
60219331

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-[2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]quinuclidin-3-ol (2S,3S)-2-[2-[4-(5-ethyl-1,3,4-o…

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) 2.12 4.2 -44.03 2 5 1 64 324.404 2 ↓
Hi High (pH 8-9.5) 2.12 1.85 -9.09 1 5 0 62 323.396 2 ↓

Parameters Provided:

ring.id = 198256
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 = 198256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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