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Analogs

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Popular Name: 3-[(2-oxo-1-quinolyl)methyl]furan-2-carboxylic 3-[(2-oxo-1-quinolyl)methyl]fura…

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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) 2.03 8.29 -59.4 0 5 -1 75 268.248 3 ↓

Analogs

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Popular Name: 5-methyl-4-[(2-oxo-1-quinolyl)methyl]furan-2-carboxylic 5-methyl-4-[(2-oxo-1-quinolyl)me…

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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) 2.25 9.19 -60.05 0 5 -1 75 282.275 3 ↓

Analogs

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Popular Name: 3-[(2-oxo-1-quinolyl)methyl]furan-2-carbohydrazide 3-[(2-oxo-1-quinolyl)methyl]fura…

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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) 0.84 4.39 -16.89 3 6 0 90 283.287 3 ↓
Lo Low (pH 4.5-6) 0.84 4.23 -52.63 4 6 1 92 284.295 3 ↓

Parameters Provided:

ring.id = 539288
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 = 539288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=539288&filter.purchasability=annotated

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