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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R,8R)-6-(azepane-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'-one (5S,6R,8R)-6-(azepane-1-carbonyl…

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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) 3.54 5.36 -7 1 5 0 53 353.466 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-(azepane-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'-one (5R,6R,8R)-6-(azepane-1-carbonyl…

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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) 3.54 7.2 -17.14 1 5 0 53 353.466 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S,8R)-6-(azepane-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'-one (5S,6S,8R)-6-(azepane-1-carbonyl…

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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) 3.54 6.98 -13.97 1 5 0 53 353.466 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-(azepane-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'-one (5R,6S,8R)-6-(azepane-1-carbonyl…

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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) 3.54 5.65 -7.53 1 5 0 53 353.466 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-(azepane-1-carbonyl)-1'-methyl-spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6R,8R)-6-(azepane-1-carbonyl…

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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) 3.79 9.36 -17.97 0 5 0 44 367.493 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R,8R)-6-(azepane-1-carbonyl)-1'-methyl-spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5S,6R,8R)-6-(azepane-1-carbonyl…

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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) 3.79 7.34 -7.64 0 5 0 44 367.493 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-(azepane-1-carbonyl)-1'-methyl-spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6S,8R)-6-(azepane-1-carbonyl…

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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) 3.79 7.63 -8.34 0 5 0 44 367.493 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S,8R)-6-(azepane-1-carbonyl)-1'-methyl-spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5S,6S,8R)-6-(azepane-1-carbonyl…

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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) 3.79 8.97 -14.79 0 5 0 44 367.493 1 ↓

Parameters Provided:

ring.id = 178211
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 = 178211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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