UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-hexanamide N-(4-methylsulfanylphenyl)-6-(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) 3.83 -2.25 -18.61 2 5 0 67 413.568 8 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide N-(2-methoxyphenyl)-6-(4-oxo-2-t…

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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) 3.40 9.98 -20.41 2 6 0 76 397.5 8 ↓
Mid Mid (pH 6-8) 4.13 9.55 -49.14 1 6 -1 73 396.492 8 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide N-(4-fluoro-2-methyl-phenyl)-6-(…

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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) 3.93 11.52 -18.25 2 5 0 67 399.491 7 ↓
Mid Mid (pH 6-8) 4.66 11.22 -47.62 1 5 -1 64 398.483 7 ↓

Parameters Provided:

ring.id = 85404
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 = 85404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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