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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442387
12442387
12442391
12442391
6755447
6755447

Draw Identity 99% 90% 80% 70%

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

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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) 3.72 9.56 -14.58 0 6 0 73 387.391 2 ↓
Mid Mid (pH 6-8) 3.72 12.51 -43.51 1 6 1 74 388.399 2 ↓

Analogs

13728954
13728954
12442387
12442387
12442391
12442391

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-cyclopropyl-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) 4.37 10.07 -12.74 0 6 0 73 421.836 2 ↓
Mid Mid (pH 6-8) 4.37 13.03 -42.32 1 6 1 74 422.844 2 ↓

Analogs

12442387
12442387
12442391
12442391
6755447
6755447

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-9-cyclopropyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-bromo-2-oxo-chromen-3-yl)-9…

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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) 4.50 10.17 -12.61 0 6 0 73 466.287 2 ↓
Mid Mid (pH 6-8) 4.50 13.14 -42.2 1 6 1 74 467.295 2 ↓

Analogs

12442387
12442387

Draw Identity 99% 90% 80% 70%

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

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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) 3.73 9.24 -17.85 0 7 0 82 417.417 3 ↓
Mid Mid (pH 6-8) 3.73 12.22 -46.7 1 7 1 83 418.425 3 ↓

Analogs

12442387
12442387
12442391
12442391
6755447
6755447

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 4.11 10.16 -17.76 0 7 0 82 431.444 4 ↓
Mid Mid (pH 6-8) 4.11 13.13 -46.66 1 7 1 83 432.452 4 ↓

Parameters Provided:

ring.id = 564323
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 = 564323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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