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

Analogs

35894865
35894865
35894687
35894687

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-cyclopentyl-8-nitro-N-[2-(2-thienyl)ethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline (4aS,5R)-3-cyclopentyl-8-nitro-N…

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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) 4.43 13.01 -52.63 2 7 1 83 455.604 6 ↓
Mid Mid (pH 6-8) 4.43 10.78 -14.53 1 7 0 81 454.596 6 ↓

Analogs

35894687
35894687
35894863
35894863

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-3-cyclopentyl-8-nitro-N-[2-(2-thienyl)ethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline (4aS,5S)-3-cyclopentyl-8-nitro-N…

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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) 4.43 12.83 -58.35 2 7 1 83 455.604 6 ↓
Mid Mid (pH 6-8) 4.43 10.67 -15.32 1 7 0 81 454.596 6 ↓

Parameters Provided:

ring.id = 42288
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 = 42288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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