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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: [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrol-5-yl]-(2-methoxy-5-methyl-phenyl)methanon [(3aS,6aS)-2,3,3a,4,6,6a-hexahyd…

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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) 2.02 5.8 -49.49 2 4 1 46 261.345 2 ↓
Hi High (pH 8-9.5) 2.02 4.14 -10.9 1 4 0 42 260.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrol-5-yl]-(5-fluoro-2-methyl-phenyl)methanone [(3aS,6aS)-2,3,3a,4,6,6a-hexahyd…

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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) 1.58 5.56 -44.63 2 3 1 37 249.309 1 ↓
Hi High (pH 8-9.5) 1.58 4.18 -6.54 1 3 0 32 248.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrol-5-yl]-(3,4,5-trifluorophenyl)methanone [(3aS,6aS)-2,3,3a,4,6,6a-hexahyd…

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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) 1.39 4.98 -50.26 2 3 1 37 271.262 1 ↓
Hi High (pH 8-9.5) 1.39 3.56 -6.71 1 3 0 32 270.254 1 ↓

Parameters Provided:

ring.id = 37555
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 = 37555 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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