UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-methoxyphenyl)-1-(o-tolylmethyl)-2,4-dioxo-N-phenethyl-quinazoline-7-carboxamide 3-(4-methoxyphenyl)-1-(o-tolylme…

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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) 5.06 15.12 -19.11 1 7 0 82 519.601 8 ↓

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-2,4-dioxo-N-phenethyl-quinazoline-7-carboxamide 1-[(2-fluorophenyl)methyl]-3-(4-…

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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) 4.78 14.07 -20.28 1 7 0 82 523.564 8 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)-2,4-dioxo-N-phenethyl-1-(p-tolylmethyl)quinazoline-7-carboxamide 3-(4-methoxyphenyl)-2,4-dioxo-N-…

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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) 5.11 14.72 -18.2 1 7 0 82 519.601 8 ↓

Parameters Provided:

ring.id = 68146
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 = 68146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68146&filter.purchasability=annotated

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