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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-[2-(3-pyridyl)ethylcarbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-[2-(3-pyridyl)et…

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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) 1.23 6.73 -48.62 1 5 -1 82 285.323 5 ↓
Lo Low (pH 4.5-6) 1.23 4.97 -17.44 2 5 0 79 286.331 5 ↓
Lo Low (pH 4.5-6) 1.23 5.44 -44.49 3 5 1 81 287.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-[2-(3-pyridyl)ethylcarbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-[2-(3-pyridyl)et…

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) 1.23 6.46 -42.84 1 5 -1 82 285.323 5 ↓
Lo Low (pH 4.5-6) 1.23 4.51 -11.06 2 5 0 79 286.331 5 ↓
Lo Low (pH 4.5-6) 1.23 4.98 -39.96 3 5 1 81 287.339 5 ↓

Parameters Provided:

ring.id = 572862
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 = 572862 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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