UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37865331
37865331
46467115
46467115
46467118
46467118
51943317
51943317
12894524
12894524

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Popular Name: 2-[(1S,2R,4R)-norbornan-2-yl]-N-(4-oxocyclohexyl)acetamide 2-[(1S,2R,4R)-norbornan-2-yl]-N-…

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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) 1.71 6.7 -9.65 1 3 0 46 249.354 3 ↓

Analogs

37865331
37865331
46467115
46467115
46467118
46467118
51943317
51943317
12894524
12894524

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2R,4S)-norbornan-2-yl]-N-(4-oxocyclohexyl)acetamide 2-[(1R,2R,4S)-norbornan-2-yl]-N-…

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) 1.71 6.61 -9.48 1 3 0 46 249.354 3 ↓

Parameters Provided:

ring.id = 123129
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 = 123129 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=123129&filter.purchasability=annotated

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