UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12537708
12537708

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Popular Name: (2S)-2-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[3-(2,5-dimethoxyphenyl)-…

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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) 3.74 7.98 -14.52 2 7 0 77 426.476 5 ↓

Analogs

12537707
12537707

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Popular Name: (2R)-2-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-2-[3-(2,5-dimethoxyphenyl)-…

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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) 3.74 7.99 -14.53 2 7 0 77 426.476 5 ↓

Analogs

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Popular Name: (2S)-2-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[1-phenyl-3-(p-tolyl)pyra…

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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 10.09 -12.54 2 5 0 59 380.451 3 ↓

Parameters Provided:

ring.id = 104688
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 = 104688 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=104688&filter.purchasability=annotated

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