UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35016698
35016698

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Popular Name: [(1R)-cyclohex-3-en-1-yl]methyl [(1R)-cyclohex-3-en-1-yl]methyl

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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) 2.75 7.48 -9.49 2 4 0 50 266.366 4 ↓
Hi High (pH 8-9.5) 2.00 6.4 -33.42 1 4 -1 57 265.358 3 ↓

Analogs

35016696
35016696

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-cyclohex-3-en-1-yl]methyl [(1S)-cyclohex-3-en-1-yl]methyl

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) 2.75 7.47 -9.49 2 4 0 50 266.366 4 ↓
Hi High (pH 8-9.5) 2.00 6.4 -33.43 1 4 -1 57 265.358 3 ↓

Parameters Provided:

ring.id = 14780
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 = 14780 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14780&filter.purchasability=annotated

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