UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20624951
20624951
20647252
20647252

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Popular Name: 4-(2-oxochromen-3-yl)-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(2-oxochromen-3-yl)-9-[2-(2-th…

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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) 5.06 11.83 -15.44 0 6 0 73 457.507 4 ↓
Mid Mid (pH 6-8) 5.06 14.67 -51.04 1 6 1 74 458.515 4 ↓

Analogs

20412288
20412288
19882509
19882509

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-on 4-(6-chloro-2-oxo-chromen-3-yl)-…

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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) 5.71 12.31 -13.69 0 6 0 73 491.952 4 ↓
Lo Low (pH 4.5-6) 5.71 15.2 -49.92 1 6 1 74 492.96 4 ↓

Analogs

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Popular Name: 4-(8-methoxy-2-oxo-chromen-3-yl)-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-o 4-(8-methoxy-2-oxo-chromen-3-yl)…

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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) 5.07 11.52 -18.71 0 7 0 82 487.533 5 ↓
Mid Mid (pH 6-8) 5.07 14.36 -54.29 1 7 1 83 488.541 5 ↓

Analogs

20624951
20624951

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Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-on 4-(8-ethoxy-2-oxo-chromen-3-yl)-…

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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) 5.44 12.45 -18.74 0 7 0 82 501.56 6 ↓
Mid Mid (pH 6-8) 5.44 15.27 -54.26 1 7 1 83 502.568 6 ↓

Parameters Provided:

ring.id = 564391
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 = 564391 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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