UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442458
12442458
13727870
13727870

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Popular Name: 3-(4-chlorophenyl)-4-methyl-9-(3-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-chlorophenyl)-4-methyl-9-(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) 4.57 9.7 -12.88 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 4.57 10.17 -44.29 1 5 1 57 419.888 3 ↓
Lo Low (pH 4.5-6) 4.57 12.55 -49.03 1 5 1 57 419.888 3 ↓

Analogs

12442458
12442458
13685458
13685458
13735216
13735216

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Popular Name: 3-(4-methoxyphenyl)-4-methyl-9-(3-pyridylmethyl)-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) 3.94 8.48 -14.19 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.94 8.95 -45.43 1 6 1 66 415.469 4 ↓
Lo Low (pH 4.5-6) 3.94 11.32 -49.64 1 6 1 66 415.469 4 ↓

Analogs

13727827
13727827
12442458
12442458
13692718
13692718

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Popular Name: 3-(3,4-dimethoxyphenyl)-4-methyl-9-(3-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 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) 3.54 8.4 -17.02 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.54 11.24 -52.95 1 7 1 75 445.495 5 ↓
Lo Low (pH 4.5-6) 3.54 8.87 -48.49 1 7 1 75 445.495 5 ↓

Parameters Provided:

ring.id = 564810
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 = 564810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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