UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19863881
19863881
956757
956757
956758
956758

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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) 3.56 9.19 -12.2 1 7 0 85 446.503 6 ↓
Hi High (pH 8-9.5) 3.56 9.74 -42.04 0 7 -1 88 445.495 6 ↓
Lo Low (pH 4.5-6) 3.56 9.65 -36.34 2 7 1 86 447.511 6 ↓

Analogs

19863878
19863878

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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) 3.56 9.22 -12.89 1 7 0 85 446.503 6 ↓
Lo Low (pH 4.5-6) 3.56 9.69 -46.77 2 7 1 86 447.511 6 ↓

Parameters Provided:

ring.id = 52567
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 = 52567 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=52567&filter.purchasability=annotated

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