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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Popular Name: 2-[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,5-bis(2-nitrooxyethoxy)phenoxy]ethyl 2-[2-[(E)-3-(1,3-benzodioxol-5-y…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102306-4-O Aorta (cluster #4 Of 6), Other Other 8400 0.18 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102306 Z102306 Aorta 8400 0.18 Functional ≤ 10μM

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) 5.62 13.77 -25.23 0 18 0 228 567.416 18 ↓

Parameters Provided:

ring.id = 258175
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 = 258175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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