UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

586784
586784

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butyl-N-(4-oxocyclohexyl)cyclohexanecarboxamide 4-butyl-N-(4-oxocyclohexyl)cyclo…

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) 3.33 8.47 -9.2 1 3 0 46 279.424 5 ↓

Analogs

586784
586784

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-oxocyclohexyl)cyclohexanecarboxamide N-(4-oxocyclohexyl)cyclohexaneca…

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) 1.81 5.67 -9.29 1 3 0 46 223.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-(4-oxocyclohexyl)cyclohexanecarboxamide 4-tert-butyl-N-(4-oxocyclohexyl)…

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) 2.91 7.53 -8.52 1 3 0 46 279.424 3 ↓

Parameters Provided:

ring.id = 123133
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 = 123133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=123133&filter.purchasability=annotated

Embed Link to Results