UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(azetidin-3-yl)-4-methyl-thiazole 2-(azetidin-3-yl)-4-methyl-thiazole

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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) 0.44 2.17 -43.16 2 2 1 29 155.246 1 ↓
Hi High (pH 8-9.5) 0.44 0.48 -4.75 1 2 0 25 154.238 1 ↓

Analogs

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Popular Name: 2-(3-azetidinyl)-1,3-thiazole 2-(3-azetidinyl)-1,3-thiazole

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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) 0.22 1.66 -39.72 2 2 1 29 141.219 1 ↓
Hi High (pH 8-9.5) 0.22 -0.04 -4.94 1 2 0 25 140.211 1 ↓

Parameters Provided:

ring.id = 462767
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 = 462767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=462767&filter.purchasability=annotated

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