UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-methyl-2-thienyl)ethyl 2-(3-methyl-2-thienyl)ethyl

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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) 3.03 7.72 -11.09 2 4 0 50 296.417 5 ↓
Hi High (pH 8-9.5) 2.28 6.64 -34.77 1 4 -1 57 295.409 4 ↓

Analogs

35016656
35016656

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Popular Name: 2-(5-methyl-2-thienyl)ethyl 2-(5-methyl-2-thienyl)ethyl

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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) 2.88 7.96 -11.2 2 4 0 50 296.417 5 ↓
Hi High (pH 8-9.5) 2.13 6.89 -34.93 1 4 -1 57 295.409 4 ↓

Analogs

35016644
35016644

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Popular Name: 2-(5-ethyl-2-thienyl)ethyl 2-(5-ethyl-2-thienyl)ethyl

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) 3.45 8.75 -11 2 4 0 50 310.444 6 ↓
Hi High (pH 8-9.5) 2.70 7.68 -34.74 1 4 -1 57 309.436 5 ↓

Parameters Provided:

ring.id = 14763
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 = 14763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14763&filter.purchasability=annotated

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