UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35016896
35016896

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Popular Name: [1-(4-methoxyphenyl)cyclopentyl]methyl [1-(4-methoxyphenyl)cyclopentyl]…

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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) 3.62 9.23 -34.31 1 5 -1 66 391.488 6 ↓
Mid Mid (pH 6-8) 4.37 10.34 -10.99 2 5 0 60 392.496 7 ↓

Analogs

35016894
35016894

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(4-methoxyphenyl)cyclopentyl]methyl [1-(4-methoxyphenyl)cyclopentyl]…

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) 3.62 9.32 -34.41 1 5 -1 66 391.488 6 ↓
Mid Mid (pH 6-8) 4.37 10.41 -11.01 2 5 0 60 392.496 7 ↓

Parameters Provided:

ring.id = 14842
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 = 14842 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14842&filter.purchasability=annotated

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