UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442669
12442669
13691270
13691270

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Popular Name: (2Z)-8-(2-furylmethyl)-4-methyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-furylmethyl)-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) 2.71 6.97 -12.46 0 6 0 69 374.396 3 ↓
Lo Low (pH 4.5-6) 2.71 9.81 -45.76 1 6 1 70 375.404 3 ↓

Analogs

13691270
13691270
13736603
13736603
13721337
13721337

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Popular Name: (2Z)-8-(2-furylmethyl)-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-furylmethyl)-2-(2-pyri…

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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) 2.33 6.31 -12.43 0 6 0 69 360.369 3 ↓
Lo Low (pH 4.5-6) 2.33 9.18 -46.02 1 6 1 70 361.377 3 ↓

Parameters Provided:

ring.id = 562049
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 = 562049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=562049&filter.purchasability=annotated

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