UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2-oxo-1-quinolyl)methyl]thiazole-2-carboxylic 4-[(2-oxo-1-quinolyl)methyl]thia…

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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) 1.74 6.88 -49.3 0 5 -1 75 285.304 3 ↓

Analogs

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Popular Name: 1-[(2-aminothiazol-4-yl)methyl]quinolin-2-one 1-[(2-aminothiazol-4-yl)methyl]q…

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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) 2.05 5.32 -10.67 2 4 0 61 257.318 2 ↓
Lo Low (pH 4.5-6) 2.05 5.67 -31.27 3 4 1 62 258.326 2 ↓

Analogs

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Popular Name: 4-[(2-oxo-1-quinolyl)methyl]thiazole-2-carbohydrazide 4-[(2-oxo-1-quinolyl)methyl]thia…

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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) 0.56 3.1 -15.47 3 6 0 90 300.343 3 ↓

Parameters Provided:

ring.id = 539282
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 = 539282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=539282&filter.purchasability=annotated

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