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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8596497
8596497

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Popular Name: 1-[(4-chlorophenyl)methyl]-N-(2-furylmethyl)-2,4-dioxo-3-phenyl-quinazoline-7-carboxamide 1-[(4-chlorophenyl)methyl]-N-(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) 4.14 12.62 -15.36 1 7 0 86 485.927 6 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-phenyl-quinazoline-7-carboxamide N-(2-furylmethyl)-1-[(3-nitrophe…

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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) 3.39 12.77 -21.82 1 10 0 132 496.479 7 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-3-(4-methylphenyl)-1-(3-nitrobenzyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide N-(2-furylmethyl)-3-(4-methylphe…

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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) 3.84 13.43 -21.74 1 10 0 132 510.506 7 ↓

Parameters Provided:

ring.id = 68142
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 = 68142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68142&filter.purchasability=annotated

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