UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017097
35017097

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Popular Name: 4-(3-thienyl)butyl 4-(3-thienyl)butyl

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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) 2.49 6.01 -11.5 3 5 0 71 340.47 8 ↓
Mid Mid (pH 6-8) 1.74 4.92 -35.89 2 5 -1 77 339.462 7 ↓

Analogs

35017095
35017095

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Popular Name: 4-(3-thienyl)butyl 4-(3-thienyl)butyl

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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) 2.49 6.01 -11.52 3 5 0 71 340.47 8 ↓
Mid Mid (pH 6-8) 1.74 4.92 -35.92 2 5 -1 77 339.462 7 ↓

Parameters Provided:

ring.id = 14895
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 = 14895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14895&filter.purchasability=annotated

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