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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-(1,3-benzodioxol-5-ylmethyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indolin (2R,3S,8R)-N-(1,3-benzodioxol-5-…

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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) 3.17 3.66 -11.08 2 7 0 80 405.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(1,3-benzodioxol-5-ylmethyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indolin (2R,3R,8R)-N-(1,3-benzodioxol-5-…

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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) 3.17 3.91 -16.07 2 7 0 80 405.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-N-(1,3-benzodioxol-5-ylmethyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indolin (2S,3S,8R)-N-(1,3-benzodioxol-5-…

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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) 3.17 4.36 -14.49 2 7 0 80 405.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(1,3-benzodioxol-5-ylmethyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indolin (2S,3R,8R)-N-(1,3-benzodioxol-5-…

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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) 3.17 3.46 -10.82 2 7 0 80 405.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(1,3-benzodioxol-5-ylmethyl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3, (2R,3R,8R)-N-(1,3-benzodioxol-5-…

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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) 3.42 5.83 -16.74 1 7 0 71 419.481 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-(1,3-benzodioxol-5-ylmethyl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3, (2R,3S,8R)-N-(1,3-benzodioxol-5-…

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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) 3.42 5.67 -11.51 1 7 0 71 419.481 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(1,3-benzodioxol-5-ylmethyl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3, (2S,3R,8R)-N-(1,3-benzodioxol-5-…

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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) 3.42 5.43 -11.21 1 7 0 71 419.481 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-N-(1,3-benzodioxol-5-ylmethyl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3, (2S,3S,8R)-N-(1,3-benzodioxol-5-…

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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) 3.42 6.37 -15.14 1 7 0 71 419.481 3 ↓

Parameters Provided:

ring.id = 178247
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 = 178247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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