UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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22585529
22585529

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Popular Name: ethyl ethyl

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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) 3.49 8.81 -44.67 2 6 1 67 397.495 6 ↓
Hi High (pH 8-9.5) 3.49 7.12 -52.07 0 6 -1 69 395.479 6 ↓
Hi High (pH 8-9.5) 3.49 6.5 -14.56 1 6 0 66 396.487 6 ↓

Parameters Provided:

ring.id = 52675
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 = 52675 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=52675&filter.purchasability=annotated

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