UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32741233
32741233

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methylphenoxy)pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)ethyl…

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) 4.08 8.2 -21.27 1 6 0 70 376.412 6 ↓

Analogs

32741233
32741233

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)ethyl…

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) 3.80 7.64 -19.57 1 6 0 70 380.375 6 ↓

Analogs

32741233
32741233
15514932
15514932

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dimethylphenoxy)pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)ethyl…

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) 4.46 8.82 -21.09 1 6 0 70 390.439 6 ↓

Parameters Provided:

ring.id = 602667
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 = 602667 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=602667&filter.purchasability=annotated

Embed Link to Results