UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6700928
6700928
4858202
4858202

Draw Identity 99% 90% 80% 70%

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

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) 4.79 8.73 -11.7 1 3 0 42 319.832 3 ↓

Analogs

16489592
16489592
27587474
27587474
6702791
6702791

Draw Identity 99% 90% 80% 70%

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

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) 3.81 8.02 -12.45 1 3 0 42 271.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,6R)-2,6-dimethylcyclohexyl]-2-(6-methoxybenzofuran-3-yl)acetamide N-[(2S,6R)-2,6-dimethylcyclohexy…

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) 3.90 7.95 -12.6 1 4 0 51 315.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,6S)-2,6-dimethylcyclohexyl]-2-(6-methoxybenzofuran-3-yl)acetamide N-[(2S,6S)-2,6-dimethylcyclohexy…

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) 3.90 7.56 -12.4 1 4 0 51 315.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-(6-methoxybenzofuran-3-yl)acetamide N-[(2R,6R)-2,6-dimethylcyclohexy…

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) 3.90 7.56 -12.51 1 4 0 51 315.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-(6-methoxybenzofuran-3-yl)-N-methyl-acetamide N-cyclohexyl-2-(6-methoxybenzofu…

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) 3.66 8.44 -13.71 0 4 0 43 301.386 4 ↓

Parameters Provided:

ring.id = 3400
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 = 3400 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3400&filter.purchasability=annotated

Embed Link to Results