UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5780074
5780074
5780075
5780075
5780076
5780076

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methylindolin-1-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]propan-1-one 1-(2-methylindolin-1-yl)-2-[(1-o…

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) 1.96 0.69 -23.14 0 4 0 45 314.41 3 ↓

Analogs

5780075
5780075
5780076
5780076
5780073
5780073

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methylindolin-1-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]propan-1-one 1-(2-methylindolin-1-yl)-2-[(1-o…

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) 1.96 0.8 -22.29 0 4 0 45 314.41 3 ↓

Analogs

5780076
5780076
5780073
5780073
5780074
5780074

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methylindolin-1-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]propan-1-one 1-(2-methylindolin-1-yl)-2-[(1-o…

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) 1.96 0.68 -22.87 0 4 0 45 314.41 3 ↓

Analogs

5780073
5780073
5780074
5780074
5780075
5780075

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methylindolin-1-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]propan-1-one 1-(2-methylindolin-1-yl)-2-[(1-o…

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) 1.96 0.69 -22.78 0 4 0 45 314.41 3 ↓

Parameters Provided:

ring.id = 2632
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 = 2632 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2632&filter.purchasability=annotated

Embed Link to Results