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

Analogs

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Popular Name: (2Z)-6-hydroxy-4-methyl-2-(2-pyridylmethylene)-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran- (2Z)-6-hydroxy-4-methyl-2-(2-pyr…

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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) 3.39 10.39 -36.4 2 6 1 81 428.512 4 ↓
Hi High (pH 8-9.5) 3.39 9.17 -50.66 0 6 -1 82 426.496 4 ↓
Mid Mid (pH 6-8) 3.39 8.4 -11.03 1 6 0 79 427.504 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-2-(2-pyridylmethylene)-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran-3-one (2Z)-6-hydroxy-2-(2-pyridylmethy…

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) 3.01 9.74 -36.86 2 6 1 81 414.485 4 ↓
Hi High (pH 8-9.5) 3.01 8.47 -50.25 0 6 -1 82 412.469 4 ↓
Mid Mid (pH 6-8) 3.01 10.52 -33.42 1 6 0 83 413.477 4 ↓

Parameters Provided:

ring.id = 549858
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 = 549858 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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