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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,3R,8S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indo (2R,3R,8S)-N-(6-acetyl-1,3-benzo…

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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) 3.30 5.21 -16.4 2 8 0 97 433.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.30 4.37 -12.03 2 8 0 97 433.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indo (2R,3R,8R)-N-(6-acetyl-1,3-benzo…

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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) 3.30 4.78 -19.53 2 8 0 97 433.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.30 4.28 -13.39 2 8 0 97 433.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 7.17 -17.44 1 8 0 88 447.491 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.31 -12.83 1 8 0 88 447.491 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.76 -20.71 1 8 0 88 447.491 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.22 -14.35 1 8 0 88 447.491 3 ↓

Parameters Provided:

ring.id = 178267
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 = 178267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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