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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)-1-(3-methyl-5-nitro-2-pyridyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (3aS,6aS)-1-(3-methyl-5-nitro-2-…

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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) 1.78 6.63 -43.54 2 6 1 79 249.294 2 ↓
Hi High (pH 8-9.5) 1.78 5.2 -5.82 1 6 0 74 248.286 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,6aS)-1-(3-fluoro-2-pyridyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (3aS,6aS)-1-(3-fluoro-2-pyridyl)…

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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 4.79 -39.76 2 3 1 33 208.26 1 ↓
Hi High (pH 8-9.5) 1.39 3.37 -5.26 1 3 0 28 207.252 1 ↓
Lo Low (pH 4.5-6) 1.39 5.18 -94.51 3 3 2 34 209.268 1 ↓

Parameters Provided:

ring.id = 22577
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 = 22577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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