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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-i (2R,3S,8R)-N-(2,3-dihydro-1,4-be…

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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) 3.09 3.96 -12.28 2 7 0 80 405.454 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-i (2R,3R,8R)-N-(2,3-dihydro-1,4-be…

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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) 3.09 4.25 -20.58 2 7 0 80 405.454 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-i (2S,3S,8R)-N-(2,3-dihydro-1,4-be…

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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) 3.09 5.03 -18.36 2 7 0 80 405.454 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-i (2S,3R,8R)-N-(2,3-dihydro-1,4-be…

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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) 3.09 3.85 -11.89 2 7 0 80 405.454 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrroliz (2R,3R,8R)-N-(2,3-dihydro-1,4-be…

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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) 3.33 6.15 -21.17 1 7 0 71 419.481 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrroliz (2R,3S,8R)-N-(2,3-dihydro-1,4-be…

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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) 3.33 5.96 -12.79 1 7 0 71 419.481 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrroliz (2S,3R,8R)-N-(2,3-dihydro-1,4-be…

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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) 3.33 5.82 -12.45 1 7 0 71 419.481 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrroliz (2S,3S,8R)-N-(2,3-dihydro-1,4-be…

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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) 3.33 7.02 -16.64 1 7 0 71 419.481 2 ↓

Parameters Provided:

ring.id = 178262
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 = 178262 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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