UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(6-methoxy-3-pyridyl)isoindoline-1,3-dione 5-amino-2-(6-methoxy-3-pyridyl)i…

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) 1.39 1.66 -11.39 2 6 0 87 269.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(6-methoxy-3-pyridyl)isoindoline-1,3-dione 4-amino-2-(6-methoxy-3-pyridyl)i…

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) 1.46 1.78 -10.55 2 6 0 87 269.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(3-pyridyl)isoindoline-1,3-dione 5-amino-2-(3-pyridyl)isoindoline…

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) 0.99 3.2 -12.59 2 5 0 78 239.234 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(3-pyridyl)isoindoline-1,3-dione 4-amino-2-(3-pyridyl)isoindoline…

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) 1.06 3.32 -11.69 2 5 0 78 239.234 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,3-dioxoisoindolin-2-yl)pyridine-3-carboxylic 5-(1,3-dioxoisoindolin-2-yl)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) 1.70 5.92 -53.84 0 6 -1 92 267.22 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-bromo-1,3-dioxo-isoindolin-2-yl)pyridine-3-carboxylic 5-(5-bromo-1,3-dioxo-isoindolin-…

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) 2.49 6.53 -48.97 0 6 -1 92 346.116 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-methyl-1,3-dioxo-isoindolin-2-yl)pyridine-3-carboxylic 5-(5-methyl-1,3-dioxo-isoindolin…

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) 2.13 6.59 -52.47 0 6 -1 92 281.247 2 ↓

Parameters Provided:

ring.id = 70914
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 = 70914 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=70914&filter.purchasability=annotated

Embed Link to Results