UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-[(3-amino-4-pyridyl)sulfanyl]ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-[(3-amino-4-pyridyl)sulfany…

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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) 0.38 1.88 -10.27 3 6 0 88 280.353 4 ↓
Lo Low (pH 4.5-6) 0.38 2.33 -35.64 4 6 1 90 281.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3-amino-4-pyridyl)sulfanyl]ethyl]imidazolidine-2,4-dione 3-[2-[(3-amino-4-pyridyl)sulfany…

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) -0.43 0.49 -12.32 3 6 0 88 252.299 4 ↓
Lo Low (pH 4.5-6) -0.43 0.95 -37.41 4 6 1 90 253.307 4 ↓

Parameters Provided:

ring.id = 545423
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 = 545423 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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