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

Analogs

41584458
41584458
41510674
41510674

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Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]benzofuran-3-on (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) 6.50 15.59 -49.85 2 4 1 55 462.569 6 ↓
Hi High (pH 8-9.5) 6.50 13.79 -43.34 0 4 -1 57 460.553 6 ↓
Mid Mid (pH 6-8) 6.50 13.23 -9.79 1 4 0 54 461.561 6 ↓

Analogs

9486308
9486308

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.12 14.6 -49.19 2 4 1 55 448.542 6 ↓
Hi High (pH 8-9.5) 6.12 13.03 -44.54 0 4 -1 57 446.526 6 ↓
Mid Mid (pH 6-8) 6.12 12.27 -9.56 1 4 0 54 447.534 6 ↓

Parameters Provided:

ring.id = 538369
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 = 538369 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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