UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(2-furylmethyl)-N-(3-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-furylmethyl)-N-(3-methoxyph…

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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) 2.70 7.41 -17.01 1 7 0 86 389.411 5 ↓

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(3,5-dimethoxyphenyl)-6-(2-fur…

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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) 2.71 6.74 -16.85 1 8 0 96 419.437 6 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2-ethylphenyl)-6-(2-furylmeth…

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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) 3.54 10.13 -13.52 1 6 0 77 387.439 5 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(4-ethoxyphenyl)-6-(2-furylmet…

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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) 3.10 8.67 -15.52 1 7 0 86 403.438 6 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(3-chloro-4-fluoro-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) 3.44 8.66 -15.94 1 6 0 77 411.82 4 ↓

Parameters Provided:

ring.id = 91257
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 = 91257 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=91257&filter.purchasability=annotated

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