UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]imidazolidine-2,4,5-trione 1-[(1S)-2-imidazol-1-yl-1-methyl…

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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 2.8 -11.57 1 7 0 90 222.204 3 ↓
Mid Mid (pH 6-8) -0.99 0.56 -46.57 1 7 0 94 222.204 3 ↓
Mid Mid (pH 6-8) -1.45 3.31 -38.91 2 7 1 91 223.212 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]imidazolidine-2,4,5-trione 1-[(1R)-2-imidazol-1-yl-1-methyl…

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) -1.45 2.75 -11.55 1 7 0 90 222.204 3 ↓
Mid Mid (pH 6-8) -1.45 3.26 -35.53 2 7 1 91 223.212 3 ↓
Mid Mid (pH 6-8) -0.99 0.5 -38.57 1 7 0 94 222.204 3 ↓

Parameters Provided:

ring.id = 544911
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 = 544911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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