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

13724841
13724841
13735207
13735207

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

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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) 5.68 13.49 -16 0 6 0 73 465.505 5 ↓
Mid Mid (pH 6-8) 5.68 16.36 -51.11 1 6 1 74 466.513 5 ↓

Analogs

13724841
13724841

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-(3-phenylpropyl)-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) 6.33 14.01 -14.15 0 6 0 73 499.95 5 ↓
Mid Mid (pH 6-8) 6.33 16.87 -50.03 1 6 1 74 500.958 5 ↓

Analogs

13724841
13724841

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Popular Name: 4-(8-methoxy-2-oxo-chromen-3-yl)-9-(3-phenylpropyl)-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) 5.68 13.21 -19.36 0 7 0 82 495.531 6 ↓
Mid Mid (pH 6-8) 5.68 16.04 -54.55 1 7 1 83 496.539 6 ↓

Analogs

13724841
13724841
13735207
13735207
12442405
12442405

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-9-(3-phenylpropyl)-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) 6.06 14.12 -19.31 0 7 0 82 509.558 7 ↓
Mid Mid (pH 6-8) 6.06 16.95 -54.5 1 7 1 83 510.566 7 ↓

Parameters Provided:

ring.id = 564301
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 = 564301 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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