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

Analogs

41201592
41201592
41198042
41198042
41198044
41198044

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinuclidin-3-amine (3R)-N-cyclopropyl-3-(4,5,6,7-te…

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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) 2.68 7.29 -36.65 2 3 1 29 304.483 3 ↓
Lo Low (pH 4.5-6) 2.68 8.2 -102.12 3 3 2 34 305.491 3 ↓

Analogs

41198042
41198042
41198044
41198044
41201589
41201589

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinuclidin-3-amine (3S)-N-cyclopropyl-3-(4,5,6,7-te…

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) 2.68 7.11 -41.51 2 3 1 29 304.483 3 ↓
Lo Low (pH 4.5-6) 2.68 8.21 -102.1 3 3 2 34 305.491 3 ↓

Parameters Provided:

ring.id = 521821
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 = 521821 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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