UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13727852
13727852
13688306
13688306
12442451
12442451

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

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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) 4.38 9.2 -13.9 0 5 0 56 373.408 3 ↓
Lo Low (pH 4.5-6) 4.38 12.04 -44.59 1 5 1 57 374.416 3 ↓

Analogs

12442451
12442451
12442453
12442453
13727852
13727852

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

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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) 4.68 9.3 -13.07 0 5 0 56 393.826 3 ↓
Lo Low (pH 4.5-6) 4.68 12.16 -45.09 1 5 1 57 394.834 3 ↓

Analogs

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

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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) 4.44 8.5 -14.43 0 6 0 65 403.434 4 ↓
Lo Low (pH 4.5-6) 4.44 11.33 -45.81 1 6 1 66 404.442 4 ↓

Analogs

12442456
12442456
12442454
12442454
12442451
12442451

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

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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) 4.05 7.41 -15.91 0 7 0 74 419.433 5 ↓
Lo Low (pH 4.5-6) 4.05 10.24 -45.99 1 7 1 75 420.441 5 ↓

Parameters Provided:

ring.id = 564692
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 = 564692 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=564692&filter.purchasability=annotated

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