UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4858202
4858202
6700928
6700928

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Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-cyclopentyl-acetamide 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 4.28 8.2 -11.45 1 3 0 42 305.805 3 ↓

Analogs

27587474
27587474
16489592
16489592
13002034
13002034

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Popular Name: N-cyclopentyl-2-(5-methylbenzofuran-3-yl)acetamide N-cyclopentyl-2-(5-methylbenzofu…

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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) 3.30 7.5 -12.36 1 3 0 42 257.333 3 ↓

Analogs

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Popular Name: N-cyclopentyl-2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetamide N-cyclopentyl-2-(5-isopropyl-6-m…

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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) 4.27 9.35 -14.12 1 3 0 42 299.414 4 ↓

Parameters Provided:

ring.id = 3268
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 = 3268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3268&filter.purchasability=annotated

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