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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 9-cyclopentyl-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-cyclopentyl-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) 4.75 10.7 -14.11 0 6 0 73 415.445 2 ↓
Mid Mid (pH 6-8) 4.75 13.7 -44.73 1 6 1 74 416.453 2 ↓

Analogs

13728954
13728954

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-cyclopentyl-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) 5.41 11.21 -12.3 0 6 0 73 449.89 2 ↓
Mid Mid (pH 6-8) 5.41 14.21 -43.7 1 6 1 74 450.898 2 ↓

Analogs

13718348
13718348
12442387
12442387
8789574
8789574

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Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-9-cyclopentyl-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) 5.54 11.31 -12.16 0 6 0 73 494.341 2 ↓
Mid Mid (pH 6-8) 5.54 14.33 -43.49 1 6 1 74 495.349 2 ↓

Analogs

13718348
13718348
12442387
12442387
12442391
12442391

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Popular Name: 9-cyclopentyl-4-(8-methoxy-2-oxo-chromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-cyclopentyl-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) 4.76 10.4 -17.4 0 7 0 82 445.471 3 ↓
Mid Mid (pH 6-8) 4.76 13.4 -48.08 1 7 1 83 446.479 3 ↓

Analogs

13718348
13718348
12442387
12442387
12442391
12442391

Draw Identity 99% 90% 80% 70%

Popular Name: 9-cyclopentyl-4-(8-ethoxy-2-oxo-chromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-cyclopentyl-4-(8-ethoxy-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) 5.14 11.32 -17.37 0 7 0 82 459.498 4 ↓
Mid Mid (pH 6-8) 5.14 14.31 -47.99 1 7 1 83 460.506 4 ↓

Parameters Provided:

ring.id = 564331
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 = 564331 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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