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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41514614
41514614
41584436
41584436
41510593
41510593

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-(2-furylmethylene)-6-hydroxy-4-methyl-benzofuran-3-one (2Z)-7-[[benzyl(methyl)amino]met…

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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) 3.96 10.57 -45.09 2 5 1 68 376.432 5 ↓
Hi High (pH 8-9.5) 3.96 9.01 -47.28 0 5 -1 70 374.416 5 ↓
Mid Mid (pH 6-8) 3.96 8.25 -10.57 1 5 0 67 375.424 5 ↓

Analogs

41584457
41584457
41510670
41510670
41514557
41514557

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-4-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3- (2Z)-7-[[benzyl(methyl)amino]met…

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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) 4.18 11.39 -44.93 2 5 1 68 390.459 5 ↓
Hi High (pH 8-9.5) 4.18 9.84 -47.91 0 5 -1 70 388.443 5 ↓
Mid Mid (pH 6-8) 4.18 9.07 -10.74 1 5 0 67 389.451 5 ↓

Parameters Provided:

ring.id = 538354
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 = 538354 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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