UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41701850
41701850
32099031
32099031
32099033
32099033

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Popular Name: (1R*,2R*,5R*)-(7-Oxo-6-oxa-bicyclo[3.2.1]oct-2-yl)-carbamicacidbenzylester (1R*,2R*,5R*)-(7-Oxo-6-oxa-bicyc…

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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 6.05 -11.64 1 5 0 65 275.304 4 ↓

Analogs

41701848
41701848
32099031
32099031

Draw Identity 99% 90% 80% 70%

Popular Name: (1R*,2R*,5R*)-(7-Oxo-6-oxa-bicyclo[3.2.1]oct-2-yl)-carbamicacidbenzylester (1R*,2R*,5R*)-(7-Oxo-6-oxa-bicyc…

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 6.8 -12.82 1 5 0 65 275.304 4 ↓

Parameters Provided:

ring.id = 570784
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 = 570784 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=570784&filter.purchasability=annotated

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