UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442462
12442462
20573535
20573535
13723254
13723254
13692199
13692199

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

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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) 3.50 8.21 -16.22 0 8 0 85 474.513 5 ↓
Mid Mid (pH 6-8) 3.50 10.47 -51.06 1 8 1 87 475.521 5 ↓
Mid Mid (pH 6-8) 3.50 11.04 -51.67 1 8 1 87 475.521 5 ↓

Analogs

13721459
13721459
12442462
12442462
13735135
13735135
20573535
20573535

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-(3-morpholinopropyl)-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) 4.16 8.72 -14.46 0 8 0 85 508.958 5 ↓
Mid Mid (pH 6-8) 4.16 11.55 -50.55 1 8 1 87 509.966 5 ↓
Mid Mid (pH 6-8) 4.16 10.98 -49.43 1 8 1 87 509.966 5 ↓

Analogs

12442462
12442462

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Popular Name: 4-(8-methoxy-2-oxo-chromen-3-yl)-9-(3-morpholinopropyl)-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) 3.51 7.89 -19.65 0 9 0 95 504.539 6 ↓
Mid Mid (pH 6-8) 3.51 10.73 -54.92 1 9 1 96 505.547 6 ↓
Mid Mid (pH 6-8) 3.51 10.16 -54.23 1 9 1 96 505.547 6 ↓

Analogs

12442462
12442462
20573535
20573535
13723254
13723254
13692199
13692199

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-9-(3-morpholinopropyl)-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) 3.89 8.82 -19.61 0 9 0 95 518.566 7 ↓
Mid Mid (pH 6-8) 3.89 11.64 -54.81 1 9 1 96 519.574 7 ↓
Mid Mid (pH 6-8) 3.89 11.09 -54.16 1 9 1 96 519.574 7 ↓

Parameters Provided:

ring.id = 564369
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 = 564369 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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