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

Analogs

35543871
35543871
35543873
35543873
35544677
35544677
35544679
35544679

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(2-cyanophenyl)-8-nitro-N-[2-(1-piperidyl)ethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]qui (4aR,5S)-3-(2-cyanophenyl)-8-nit…

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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) 3.67 14.08 -56.48 2 9 1 110 489.6 6 ↓

Analogs

35543886
35543886
35543888
35543888
35870377
35870377
35870378
35870378
35894770
35894770

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(5-chloro-2-methoxy-phenyl)-8-nitro-N-[2-(1-piperidyl)ethyl]-1,2,4,4a,5,6-hexahydropyrazi (4aR,5S)-3-(5-chloro-2-methoxy-p…

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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) 4.62 13.33 -46.69 2 9 1 95 529.061 7 ↓

Parameters Provided:

ring.id = 42169
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 = 42169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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