UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-methyl-3-[2-(3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide N-benzyl-N-methyl-3-[2-(3-pyridy…

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) 2.95 0.6 -12.27 0 5 0 51 370.456 6 ↓
Lo Low (pH 4.5-6) 2.95 0.7 -39.03 1 5 1 52 371.464 6 ↓
Lo Low (pH 4.5-6) 2.95 0.7 -44.25 1 5 1 52 371.464 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]-3-[2-(3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide N-[(2-methoxyphenyl)methyl]-3-[2…

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) 2.71 -1.45 -12.65 1 6 0 69 386.455 7 ↓
Lo Low (pH 4.5-6) 2.71 -1.35 -39.16 2 6 1 70 387.463 7 ↓
Lo Low (pH 4.5-6) 2.71 -1.35 -45.12 2 6 1 70 387.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide N-[(3-methoxyphenyl)methyl]-3-[2…

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) 2.96 -1.39 -12.46 1 6 0 69 400.482 7 ↓
Lo Low (pH 4.5-6) 2.96 -1.32 -44.77 2 6 1 70 401.49 7 ↓
Lo Low (pH 4.5-6) 2.96 -1.26 -38.44 2 6 1 70 401.49 7 ↓

Parameters Provided:

ring.id = 93689
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 = 93689 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=93689&filter.purchasability=annotated

Embed Link to Results