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

Analogs

20651022
20651022
20648375
20648375

Draw Identity 99% 90% 80% 70%

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

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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) 4.45 8.45 -9.45 0 5 0 56 438.405 4 ↓
Lo Low (pH 4.5-6) 4.45 8.92 -43.1 1 5 1 57 439.413 4 ↓

Analogs

8993477
8993477
9422782
9422782
13689463
13689463

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

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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) 2.96 6.81 -16.46 0 7 0 74 430.46 5 ↓
Lo Low (pH 4.5-6) 2.96 7.28 -50.42 1 7 1 75 431.468 5 ↓
Lo Low (pH 4.5-6) 2.96 9.66 -62.6 1 7 1 75 431.468 5 ↓

Analogs

8993557
8993557
9423012
9423012
12390955
12390955
12408696
12408696

Draw Identity 99% 90% 80% 70%

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

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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) 3.19 7.4 -16.58 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.19 10.25 -62.49 1 7 1 75 445.495 5 ↓
Lo Low (pH 4.5-6) 3.19 7.87 -50.73 1 7 1 75 445.495 5 ↓

Analogs

20651022
20651022
20648375
20648375

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-9-(3-pyridylmethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzox 3-(3,4-dimethoxyphenyl)-9-(3-pyr…

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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) 4.10 7.66 -12.53 0 7 0 74 498.457 6 ↓
Lo Low (pH 4.5-6) 4.10 8.13 -46.69 1 7 1 75 499.465 6 ↓

Analogs

9422782
9422782
8993477
8993477

Draw Identity 99% 90% 80% 70%

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

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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) 4.13 8.29 -13.51 0 5 0 56 449.304 3 ↓
Lo Low (pH 4.5-6) 4.13 11.14 -59.66 1 5 1 57 450.312 3 ↓
Lo Low (pH 4.5-6) 4.13 8.75 -45.88 1 5 1 57 450.312 3 ↓

Parameters Provided:

ring.id = 565825
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 = 565825 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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