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

Analogs

36165627
36165627

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-quinuclidin-3-yl]-1H-pyrazole-4-carboxamide N-[(3S)-quinuclidin-3-yl]-1H-pyr…

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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) 0.09 2.91 -40.27 3 5 1 62 221.284 2 ↓

Analogs

36165625
36165625

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Popular Name: N-[(3R)-quinuclidin-3-yl]-1H-pyrazole-4-carboxamide N-[(3R)-quinuclidin-3-yl]-1H-pyr…

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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) 0.09 2.91 -40.27 3 5 1 62 221.284 2 ↓

Analogs

36165635
36165635
37841648
37841648
37841649
37841649

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(3S)-quinuclidin-3-yl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(3S)-quinuclidin…

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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) 0.54 3.98 -42.89 3 5 1 62 249.338 2 ↓

Analogs

37841648
37841648
37841649
37841649
36165633
36165633

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(3R)-quinuclidin-3-yl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(3R)-quinuclidin…

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) 0.54 3.98 -41.43 3 5 1 62 249.338 2 ↓

Parameters Provided:

ring.id = 82172
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 = 82172 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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