UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41663637
41663637
41664291
41664291
41664465
41664465
41664630
41664630
41665061
41665061

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Popular Name: 3-(4-methoxyphenyl)-9-(4-pyridylmethyl)-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 3-(4-methoxyphenyl)-9-(4-pyridyl…

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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 8.16 -14.4 0 6 0 65 400.434 4 ↓
Lo Low (pH 4.5-6) 3.52 11.37 -113.98 2 6 2 67 402.45 4 ↓
Lo Low (pH 4.5-6) 3.52 8.61 -44.78 1 6 1 66 401.442 4 ↓

Analogs

41663833
41663833
41664291
41664291
41664343
41664343
41664388
41664388
41664393
41664393

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Popular Name: 3-(4-chlorophenyl)-9-(4-pyridylmethyl)-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 3-(4-chlorophenyl)-9-(4-pyridylm…

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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) 4.14 9.37 -13.31 0 5 0 56 404.853 3 ↓
Lo Low (pH 4.5-6) 4.14 12.59 -113.35 2 5 2 58 406.869 3 ↓
Lo Low (pH 4.5-6) 4.14 9.83 -43.7 1 5 1 57 405.861 3 ↓

Analogs

13692492
13692492
13692718
13692718

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Popular Name: 4-methyl-3-phenyl-9-(4-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-methyl-3-phenyl-9-(4-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) 3.84 9.27 -14.06 0 5 0 56 384.435 3 ↓
Lo Low (pH 4.5-6) 3.84 12.12 -50.61 1 5 1 57 385.443 3 ↓
Lo Low (pH 4.5-6) 3.84 9.73 -44.26 1 5 1 57 385.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.51 9.79 -13.39 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 4.51 12.64 -51.25 1 5 1 57 419.888 3 ↓
Lo Low (pH 4.5-6) 4.51 10.25 -43.98 1 5 1 57 419.888 3 ↓

Parameters Provided:

ring.id = 225903
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 = 225903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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