UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-1-(m-tolyl)-1,8-naphthyridin-2-one 3-[[4-(2,4-dimethylphenyl)pipera…

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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) 5.14 14.28 -16.34 0 5 0 41 438.575 4 ↓

Analogs

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Popular Name: 1-(3-methylsulfanylphenyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,8-naphthyridin-2-one 1-(3-methylsulfanylphenyl)-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) 4.25 13.3 -21.8 0 8 0 87 487.585 6 ↓
Mid Mid (pH 6-8) 4.25 15.51 -64.68 1 8 1 88 488.593 6 ↓

Parameters Provided:

ring.id = 598902
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 = 598902 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=598902&filter.purchasability=annotated

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