UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-methoxy-2-oxo-N-(4-pyridyl)chromene-4-carboxamide 7-methoxy-2-oxo-N-(4-pyridyl)chr…

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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) 1.58 5.56 -11.5 1 6 0 81 296.282 3 ↓
Lo Low (pH 4.5-6) 1.58 6.02 -44.84 2 6 1 83 297.29 3 ↓

Analogs

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Popular Name: 7-isopropoxy-2-oxo-N-(4-pyridyl)chromene-4-carboxamide 7-isopropoxy-2-oxo-N-(4-pyridyl)…

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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) 2.32 7.1 -10.48 1 6 0 81 324.336 4 ↓
Lo Low (pH 4.5-6) 2.32 7.56 -42.8 2 6 1 83 325.344 4 ↓

Analogs

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Popular Name: 7-ethoxy-2-oxo-N-(4-pyridyl)chromene-4-carboxamide 7-ethoxy-2-oxo-N-(4-pyridyl)chro…

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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) 1.95 6.49 -11.22 1 6 0 81 310.309 4 ↓
Lo Low (pH 4.5-6) 1.95 6.94 -44.76 2 6 1 83 311.317 4 ↓

Parameters Provided:

ring.id = 547462
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 = 547462 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=547462&filter.purchasability=annotated

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