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

Analogs

60219296
60219296
60219299
60219299
60219300
60219300

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(1,3,4-oxadiazol-2-yl)-2-(2-phenylethynyl)quinuclidin-3-ol (2R,3R)-2-(1,3,4-oxadiazol-2-yl)…

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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) 1.31 2.29 -35.25 2 5 1 64 296.35 1 ↓
Mid Mid (pH 6-8) 1.31 0.12 -10.44 1 5 0 62 295.342 1 ↓

Analogs

60219299
60219299
60219300
60219300
60219292
60219292

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(1,3,4-oxadiazol-2-yl)-2-(2-phenylethynyl)quinuclidin-3-ol (2S,3R)-2-(1,3,4-oxadiazol-2-yl)…

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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) 1.31 3.11 -33.93 2 5 1 64 296.35 1 ↓
Mid Mid (pH 6-8) 1.31 0.85 -10.03 1 5 0 62 295.342 1 ↓

Analogs

60219300
60219300
60219292
60219292
60219296
60219296

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(1,3,4-oxadiazol-2-yl)-2-(2-phenylethynyl)quinuclidin-3-ol (2R,3S)-2-(1,3,4-oxadiazol-2-yl)…

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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) 1.31 3.5 -34.61 2 5 1 64 296.35 1 ↓
Mid Mid (pH 6-8) 1.31 0.83 -9.96 1 5 0 62 295.342 1 ↓

Analogs

60219292
60219292
60219296
60219296
60219299
60219299

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(1,3,4-oxadiazol-2-yl)-2-(2-phenylethynyl)quinuclidin-3-ol (2S,3S)-2-(1,3,4-oxadiazol-2-yl)…

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) 1.31 2.9 -33.16 2 5 1 64 296.35 1 ↓
Mid Mid (pH 6-8) 1.31 0.12 -10.48 1 5 0 62 295.342 1 ↓

Parameters Provided:

ring.id = 198248
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 = 198248 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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