UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[(5-bromo-2-furyl)methyl-methyl-amino]methyl]-3-propyl-imidazolidine-2,4,5-trione 1-[[(5-bromo-2-furyl)methyl-meth…

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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) 1.06 7.17 -45.63 1 7 1 79 359.2 6 ↓
Mid Mid (pH 6-8) 1.06 4.72 -8.02 0 7 0 77 358.192 6 ↓

Analogs

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Popular Name: 1-[[(5-bromo-2-furyl)methyl-methyl-amino]methyl]-3-methyl-imidazolidine-2,4,5-trione 1-[[(5-bromo-2-furyl)methyl-meth…

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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) 0.18 5.41 -46.07 1 7 1 79 331.146 4 ↓
Mid Mid (pH 6-8) 0.18 2.96 -8.58 0 7 0 77 330.138 4 ↓

Analogs

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Popular Name: 1-[[(5-bromo-2-furyl)methyl-methyl-amino]methyl]-3-isobutyl-imidazolidine-2,4,5-trione 1-[[(5-bromo-2-furyl)methyl-meth…

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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) 1.30 7.74 -45.36 1 7 1 79 373.227 6 ↓
Mid Mid (pH 6-8) 1.30 5.06 -7.9 0 7 0 77 372.219 6 ↓

Parameters Provided:

ring.id = 396426
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 = 396426 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=396426&filter.purchasability=annotated

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