UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-[(4R)-2-oxothiazolidine-4-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[(4R)-2-oxothiazolidine-4-carb…

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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) -1.23 -2.51 -21.36 3 8 0 108 298.324 1 ↓
Hi High (pH 8-9.5) -1.05 -5.16 -48.37 2 8 -1 114 297.316 1 ↓

Analogs

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Popular Name: 8-[(4S)-2-oxothiazolidine-4-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[(4S)-2-oxothiazolidine-4-carb…

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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) -1.23 -2.51 -21.39 3 8 0 108 298.324 1 ↓
Hi High (pH 8-9.5) -1.05 -5.16 -48.34 2 8 -1 114 297.316 1 ↓

Parameters Provided:

ring.id = 214364
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 = 214364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=214364&filter.purchasability=annotated

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