UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22708938
22708938
4840050
4840050

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Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-N-(3-morpholinopropyl)acetamide 2-(5-chloro-6-methyl-benzofuran-…

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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) 2.65 5 -13.21 1 5 0 55 350.846 6 ↓
Mid Mid (pH 6-8) 2.65 7.28 -49.09 2 5 1 56 351.854 6 ↓

Analogs

57342591
57342591
32268087
32268087
32268088
32268088
20481165
20481165

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Popular Name: 2-(6-methylbenzofuran-3-yl)-N-(3-morpholinopropyl)acetamide 2-(6-methylbenzofuran-3-yl)-N-(3…

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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) 2.05 4.58 -14.15 1 5 0 55 316.401 6 ↓
Mid Mid (pH 6-8) 2.05 6.85 -50.36 2 5 1 56 317.409 6 ↓

Analogs

57342591
57342591
20481165
20481165
27587555
27587555

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

Find On: PubMed — Wikipedia — Google

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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) 2.05 4.59 -14.1 1 5 0 55 316.401 6 ↓
Mid Mid (pH 6-8) 2.05 6.86 -50.26 2 5 1 56 317.409 6 ↓

Analogs

57342591
57342591
20481165
20481165
27587555
27587555

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Popular Name: 2-(5-ethylbenzofuran-3-yl)-N-(3-morpholinopropyl)acetamide 2-(5-ethylbenzofuran-3-yl)-N-(3-…

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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) 2.51 5.34 -13.79 1 5 0 55 330.428 7 ↓
Mid Mid (pH 6-8) 2.51 7.61 -49.87 2 5 1 56 331.436 7 ↓

Analogs

39892734
39892734
39892888
39892888
39892890
39892890
39892952
39892952

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Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-(3-morpholinopropyl)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) 3.03 5.43 -15.14 1 5 0 55 364.873 6 ↓

Parameters Provided:

ring.id = 2918
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 = 2918 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2918&filter.purchasability=annotated

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