UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14560137
14560137

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Popular Name: (1R,3Z,6S,7S,9R,11S)-6-bromo-11-(3-bromopropa-1,2-dienyl)-7-ethyl-8,12-dioxabicyclo[7.3.0]dodec-3-en (1R,3Z,6S,7S,9R,11S)-6-bromo-11-…

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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) 3.73 8.82 -4.92 0 2 0 18 392.131 2 ↓

Analogs

14560135
14560135

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3Z,6S,7R,9R,11S)-6-bromo-11-(3-bromopropa-1,2-dienyl)-7-ethyl-8,12-dioxabicyclo[7.3.0]dodec-3-en (1R,3Z,6S,7R,9R,11S)-6-bromo-11-…

Find On: PubMed — Wikipedia — Google

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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) 3.73 8.61 -4.16 0 2 0 18 392.131 2 ↓

Parameters Provided:

ring.id = 247272
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 = 247272 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=247272&filter.purchasability=annotated

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