UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-4-methyl-1,3-thiazole hydrochloride 2-(azetidin-3-ylsulfanyl)-4-meth…

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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) 1.45 2.69 -46.75 2 2 1 29 187.313 2 ↓
Hi High (pH 8-9.5) 1.45 1 -5.86 1 2 0 25 186.305 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azetidin-3-ylsulfanyl)thiazole 2-(azetidin-3-ylsulfanyl)thiazole

Find On: PubMed — Wikipedia — Google

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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) 1.22 2.18 -40.39 2 2 1 29 173.286 2 ↓
Hi High (pH 8-9.5) 1.22 0.47 -4.31 1 2 0 25 172.278 2 ↓

Parameters Provided:

ring.id = 371158
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 = 371158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=371158&filter.purchasability=annotated

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