UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442462
12442462
13721459
13721459
13692199
13692199

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Popular Name: 3-(4-methoxyphenyl)-4-methyl-9-(3-morpholinopropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-methoxyphenyl)-4-methyl-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) 3.93 6.65 -13.99 0 7 0 64 450.535 6 ↓
Mid Mid (pH 6-8) 3.93 9.48 -49.47 1 7 1 66 451.543 6 ↓
Mid Mid (pH 6-8) 3.93 8.91 -48.99 1 7 1 66 451.543 6 ↓

Analogs

13685487
13685487
13692199
13692199

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

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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) 3.14 6.13 -16.14 0 8 0 74 466.534 7 ↓
Mid Mid (pH 6-8) 3.14 8.4 -51.32 1 8 1 75 467.542 7 ↓
Mid Mid (pH 6-8) 3.14 8.96 -52.41 1 8 1 75 467.542 7 ↓

Analogs

22935525
22935525
12442462
12442462
12442411
12442411
13692461
13692461

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-4-methyl-9-(3-morpholinopropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-o 3-(3,4-dimethoxyphenyl)-4-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) 3.52 6.57 -16.87 0 8 0 74 480.561 7 ↓
Mid Mid (pH 6-8) 3.52 8.83 -51.9 1 8 1 75 481.569 7 ↓
Mid Mid (pH 6-8) 3.52 9.41 -52.86 1 8 1 75 481.569 7 ↓

Analogs

12442395
12442395
13692199
13692199
13692004
13692004

Draw Identity 99% 90% 80% 70%

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

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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) 3.54 5.58 -15.53 0 8 0 74 466.534 7 ↓
Mid Mid (pH 6-8) 3.54 7.84 -50.3 1 8 1 75 467.542 7 ↓
Mid Mid (pH 6-8) 3.54 8.42 -50.32 1 8 1 75 467.542 7 ↓

Analogs

12442413
12442413
32502125
32502125
12442399
12442399

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Popular Name: 3-(2,5-dimethoxyphenyl)-9-(3-morpholinopropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(2,5-dimethoxyphenyl)-9-(3-mor…

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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) 3.54 5.56 -15.45 0 8 0 74 466.534 7 ↓
Mid Mid (pH 6-8) 3.54 7.83 -49.93 1 8 1 75 467.542 7 ↓
Mid Mid (pH 6-8) 3.54 8.41 -49.61 1 8 1 75 467.542 7 ↓

Parameters Provided:

ring.id = 564924
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 = 564924 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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