UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-oxidoquinolin-1-ium-5-carboxylic 1-oxidoquinolin-1-ium-5-carboxylic

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) 0.36 5.69 -46.64 0 4 -1 66 188.162 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-oxidoquinolin-1-ium-6-carboxylic 1-oxidoquinolin-1-ium-6-carboxylic

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) 0.42 5.82 -56.64 0 4 -1 66 188.162 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-oxidoquinolin-1-ium-7-carboxylic 1-oxidoquinolin-1-ium-7-carboxylic

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) 0.42 5.82 -74.71 0 4 -1 66 188.162 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-oxido-quinolin-1-ium 5-bromo-1-oxido-quinolin-1-ium

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) 1.59 5.78 -16.55 0 2 0 25 224.057 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-oxido-quinolin-1-ium 7-bromo-1-oxido-quinolin-1-ium

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) 1.31 5.88 -23.08 0 2 0 25 224.057 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-oxidoquinolin-1-ium-8-carboxylic 1-oxidoquinolin-1-ium-8-carboxylic

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) 0.05 7.07 -95.3 0 4 -1 66 188.162 1 ↓

Parameters Provided:

ring.id = 511178
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 = 511178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=511178&filter.purchasability=annotated

Embed Link to Results