UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9560921
9560921
9560922
9560922
9560923
9560923
9560928
9560928
9561046
9561046

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Popular Name: 4-azepan-1-ylcarbonyl-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one 4-azepan-1-ylcarbonyl-2-(2-metho…

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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) 3.24 13.83 -13.03 0 6 0 55 459.59 5 ↓

Analogs

9560922
9560922
9560923
9560923
9560928
9560928
9561046
9561046
9561047
9561047

Draw Identity 99% 90% 80% 70%

Popular Name: 4-azepan-1-ylcarbonyl-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one 4-azepan-1-ylcarbonyl-2-(2-metho…

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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) 3.24 13.88 -16.5 0 6 0 55 459.59 5 ↓

Analogs

9560923
9560923
9560928
9560928
9561046
9561046
9561047
9561047
9561048
9561048

Draw Identity 99% 90% 80% 70%

Popular Name: 4-azepan-1-ylcarbonyl-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one 4-azepan-1-ylcarbonyl-2-(2-metho…

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) 3.24 14.78 -16.31 0 6 0 55 459.59 5 ↓

Analogs

9560928
9560928
9560929
9560929
9560930
9560930
9560931
9560931
9561046
9561046

Draw Identity 99% 90% 80% 70%

Popular Name: 4-azepan-1-ylcarbonyl-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one 4-azepan-1-ylcarbonyl-2-(2-metho…

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) 3.24 13.37 -16.28 0 6 0 55 459.59 5 ↓

Parameters Provided:

ring.id = 7679
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 = 7679 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7679&filter.purchasability=annotated

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