UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13692492
13692492
13683278
13683278

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

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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) 3.46 10.12 -17.37 0 7 0 86 438.439 3 ↓
Lo Low (pH 4.5-6) 3.46 10.58 -46.79 1 7 1 87 439.447 3 ↓
Lo Low (pH 4.5-6) 3.46 12.97 -54.64 1 7 1 87 439.447 3 ↓

Analogs

13684191
13684191

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-(4-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 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) 4.12 10.63 -15.57 0 7 0 86 472.884 3 ↓
Lo Low (pH 4.5-6) 4.12 13.48 -53.57 1 7 1 87 473.892 3 ↓
Lo Low (pH 4.5-6) 4.12 11.08 -45.31 1 7 1 87 473.892 3 ↓

Analogs

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Popular Name: 4-(8-methoxy-2-oxo-chromen-3-yl)-9-(4-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 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) 3.47 9.81 -20.74 0 8 0 95 468.465 4 ↓
Lo Low (pH 4.5-6) 3.47 12.67 -58.05 1 8 1 96 469.473 4 ↓
Lo Low (pH 4.5-6) 3.47 10.26 -49.96 1 8 1 96 469.473 4 ↓

Analogs

13692492
13692492
13683278
13683278

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-9-(4-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 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) 3.85 10.72 -20.74 0 8 0 95 482.492 5 ↓
Lo Low (pH 4.5-6) 3.85 13.58 -58.01 1 8 1 96 483.5 5 ↓
Lo Low (pH 4.5-6) 3.85 11.19 -49.93 1 8 1 96 483.5 5 ↓

Parameters Provided:

ring.id = 564359
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 = 564359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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