UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(2-thienyl)acetamide N-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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) 2.62 9.07 -16.49 1 4 0 47 313.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(2-thienyl)acetamide N-[2-(1-methylpyrrolo[2,3-b]pyri…

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) 2.25 8.15 -16.72 1 4 0 47 299.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(2-thienyl)acetamide N-[2-(1-propylpyrrolo[2,3-b]pyri…

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) 3.12 9.82 -16.27 1 4 0 47 327.453 7 ↓

Parameters Provided:

ring.id = 380068
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 = 380068 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=380068&filter.purchasability=annotated

Embed Link to Results