UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41998613
41998613

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Popular Name: (1S)-N-(2,4-dioxoimidazolidin-1-yl)cyclohex-3-ene-1-carboxamide (1S)-N-(2,4-dioxoimidazolidin-1-…

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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) 0.06 1.39 -15.52 2 6 0 79 223.232 2 ↓
Hi High (pH 8-9.5) 0.24 -1.23 -49.04 1 6 -1 85 222.224 2 ↓

Analogs

41998611
41998611

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Popular Name: (1R)-N-(2,4-dioxoimidazolidin-1-yl)cyclohex-3-ene-1-carboxamide (1R)-N-(2,4-dioxoimidazolidin-1-…

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) 0.06 1.39 -15.52 2 6 0 79 223.232 2 ↓
Hi High (pH 8-9.5) 0.24 -1.23 -49.4 1 6 -1 85 222.224 2 ↓

Parameters Provided:

ring.id = 601885
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 = 601885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=601885&filter.purchasability=annotated

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