UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(5-bromo-2-thienyl)methyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[(5-bromo-2-thienyl)methyl]-5,…

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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) 4.34 7.73 -7.33 1 4 0 49 359.289 6 ↓

Analogs

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Popular Name: (5R)-3-[(5-bromo-2-thienyl)methyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(5-bromo-2-thienyl)methy…

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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) 2.96 5.53 -6.42 1 4 0 49 331.235 3 ↓

Analogs

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Popular Name: (5S)-3-[(5-bromo-2-thienyl)methyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(5-bromo-2-thienyl)methy…

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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) 2.96 5.85 -6.98 1 4 0 49 331.235 3 ↓

Analogs

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Popular Name: (5R)-3-[(5-bromo-2-thienyl)methyl]-5-butyl-imidazolidine-2,4-dione (5R)-3-[(5-bromo-2-thienyl)methy…

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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) 3.34 6.1 -6.91 1 4 0 49 331.235 5 ↓

Analogs

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Popular Name: (5S)-3-[(5-bromo-2-thienyl)methyl]-5-butyl-imidazolidine-2,4-dione (5S)-3-[(5-bromo-2-thienyl)methy…

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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) 3.34 6.1 -7.19 1 4 0 49 331.235 5 ↓

Analogs

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Popular Name: 3-[(4-bromo-2-thienyl)methyl]imidazolidine-2,4-dione 3-[(4-bromo-2-thienyl)methyl]imi…

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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) 1.21 2.84 -9.28 1 4 0 49 275.127 2 ↓

Parameters Provided:

ring.id = 462863
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 = 462863 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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