UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5Z)-5-[[5-(2-chloro-5-nitro-phenyl)-2-furyl]methylene]imidazolidine-2,4-dione (5Z)-5-[[5-(2-chloro-5-nitro-phe…

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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) 2.94 2.39 -50.37 1 8 -1 128 332.679 3 ↓

Analogs

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Popular Name: 4-chloro-3-[5-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-furyl]benzoic 4-chloro-3-[5-[(Z)-(2,5-dioxoimi…

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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) 2.89 2.25 -104.08 1 7 -2 122 330.683 3 ↓

Analogs

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Popular Name: 2-chloro-4-[5-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-furyl]benzoic 2-chloro-4-[5-[(E)-(2,5-dioxoimi…

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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) 2.55 3.36 -104.24 1 7 -2 122 330.683 3 ↓

Analogs

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Popular Name: 3-[5-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-furyl]-4-methyl-benzoic 3-[5-[(E)-(2,5-dioxoimidazolidin…

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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) 2.66 3.64 -105.11 1 7 -2 122 310.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-furyl]-3-methyl-benzoic 4-[5-[(E)-(2,5-dioxoimidazolidin…

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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) 2.66 3.62 -105.88 1 7 -2 122 310.265 3 ↓

Parameters Provided:

ring.id = 230215
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 = 230215 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=230215&filter.purchasability=annotated

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