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

Analogs

60219402
60219402
60219404
60219404
60219408
60219408

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(1-phenylvinyl)-2-(3-pyridyl)quinuclidin-3-ol (2S,3R)-2-(1-phenylvinyl)-2-(3-p…

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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) 2.73 7.68 -27.94 2 3 1 38 307.417 3 ↓
Mid Mid (pH 6-8) 2.73 6.34 -4.41 1 3 0 36 306.409 3 ↓
Lo Low (pH 4.5-6) 2.73 8.14 -93.51 3 3 2 39 308.425 3 ↓

Analogs

60219404
60219404
60219408
60219408
60219398
60219398

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(1-phenylvinyl)-2-(3-pyridyl)quinuclidin-3-ol (2R,3R)-2-(1-phenylvinyl)-2-(3-p…

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) 2.73 7.3 -36.29 2 3 1 38 307.417 3 ↓
Mid Mid (pH 6-8) 2.73 5.44 -5.44 1 3 0 36 306.409 3 ↓
Lo Low (pH 4.5-6) 2.73 7.77 -91.77 3 3 2 39 308.425 3 ↓

Analogs

60219408
60219408
60219398
60219398
60219402
60219402

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(1-phenylvinyl)-2-(3-pyridyl)quinuclidin-3-ol (2S,3S)-2-(1-phenylvinyl)-2-(3-p…

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) 2.73 7.1 -30.41 2 3 1 38 307.417 3 ↓
Mid Mid (pH 6-8) 2.73 5.05 -6.12 1 3 0 36 306.409 3 ↓
Lo Low (pH 4.5-6) 2.73 7.56 -84.67 3 3 2 39 308.425 3 ↓

Analogs

60219398
60219398
60219402
60219402
60219404
60219404

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(1-phenylvinyl)-2-(3-pyridyl)quinuclidin-3-ol (2R,3S)-2-(1-phenylvinyl)-2-(3-p…

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) 2.73 7.72 -34.07 2 3 1 38 307.417 3 ↓
Mid Mid (pH 6-8) 2.73 6.18 -4.44 1 3 0 36 306.409 3 ↓
Lo Low (pH 4.5-6) 2.73 8.19 -100.17 3 3 2 39 308.425 3 ↓

Parameters Provided:

ring.id = 198272
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 = 198272 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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