UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3,3-di(cyclodecyl)-2-[(1R,6R,10S)-11-oxabicyclo[8.1.0]undecan-6-yl]prop-2-enoic 3,3-di(cyclodecyl)-2-[(1R,6R,10S…

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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) 9.44 18.14 -45.7 0 3 -1 53 499.8 4 ↓
Lo Low (pH 4.5-6) 9.44 16.4 -4.51 1 3 0 50 500.808 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-di(cyclodecyl)-2-[(1S,6R,10S)-11-oxabicyclo[8.1.0]undecan-6-yl]prop-2-enoic 3,3-di(cyclodecyl)-2-[(1S,6R,10S…

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) 9.44 18.35 -47.88 0 3 -1 53 499.8 4 ↓
Lo Low (pH 4.5-6) 9.44 16.42 -4.77 1 3 0 50 500.808 4 ↓

Parameters Provided:

ring.id = 197850
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 = 197850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=197850&filter.purchasability=annotated

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