UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: dibenzofuran-2-yl-(5-methyl-2-furyl)methanone dibenzofuran-2-yl-(5-methyl-2-fu…

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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) 4.48 9.65 -9.56 0 3 0 43 276.291 2 ↓

Analogs

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Popular Name: dibenzofuran-2-yl-(3-methyl-2-furyl)methanone dibenzofuran-2-yl-(3-methyl-2-fu…

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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) 4.64 9.51 -9.91 0 3 0 43 276.291 2 ↓

Analogs

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Popular Name: dibenzofuran-2-yl(2-furyl)methanone dibenzofuran-2-yl(2-furyl)methanone

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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) 4.26 8.83 -9.9 0 3 0 43 262.264 2 ↓

Analogs

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Popular Name: (5-bromo-2-furyl)-dibenzofuran-2-yl-methanone (5-bromo-2-furyl)-dibenzofuran-2…

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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) 5.19 9.56 -7.32 0 3 0 43 341.16 2 ↓

Parameters Provided:

ring.id = 16181
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 = 16181 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=16181&filter.purchasability=annotated

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