UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[3-(azocan-1-ylmethyl)benzofuran-2-yl]-N-methyl-methanamine 1-[3-(azocan-1-ylmethyl)benzofur…

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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) 3.71 9.78 -110.98 3 3 2 34 288.435 4 ↓
Hi High (pH 8-9.5) 3.71 8.52 -41.88 2 3 1 33 287.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(azocan-1-ylmethyl)benzofuran-2-yl]methanamine [3-(azocan-1-ylmethyl)benzofuran…

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) 3.34 8.04 -116.92 4 3 2 45 274.408 3 ↓
Hi High (pH 8-9.5) 3.34 6.78 -47.67 3 3 1 44 273.4 3 ↓

Parameters Provided:

ring.id = 230824
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 = 230824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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