UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]-3-methyl-imidazolidin-2-one 1-[2-(5-bromo-2-thienyl)-2-oxo-e…

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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) 2.08 6.16 -14.15 0 4 0 41 303.181 3 ↓

Analogs

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Popular Name: 1-[2-(5-ethyl-2-thienyl)-2-oxo-ethyl]-3-methyl-imidazolidin-2-one 1-[2-(5-ethyl-2-thienyl)-2-oxo-e…

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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) 1.94 7.04 -15.97 0 4 0 41 252.339 4 ↓

Analogs

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Popular Name: 1-methyl-3-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]imidazolidin-2-one 1-methyl-3-[2-(5-methyl-2-thieny…

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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) 1.37 6.26 -16.36 0 4 0 41 238.312 3 ↓

Analogs

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Popular Name: 1-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]-3-methyl-imidazolidin-2-one 1-[2-(5-chloro-2-thienyl)-2-oxo-…

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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) 1.95 6.05 -14.25 0 4 0 41 258.73 3 ↓

Analogs

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Popular Name: 1-[2-(3-bromo-2-thienyl)-2-oxo-ethyl]-3-methyl-imidazolidin-2-one 1-[2-(3-bromo-2-thienyl)-2-oxo-e…

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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) 1.88 6.06 -17.42 0 4 0 41 303.181 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-[2-oxo-2-(2-thienyl)ethyl]imidazolidin-2-one 1-methyl-3-[2-oxo-2-(2-thienyl)e…

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) 1.15 5.44 -16.35 0 4 0 41 224.285 3 ↓

Parameters Provided:

ring.id = 30962
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 = 30962 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=30962&filter.purchasability=annotated

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