UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44442583
44442583
14128808
14128808
35149892
35149892
35149891
35149891

Draw Identity 99% 90% 80% 70%

Popular Name: [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-2-yl)methanone [(9aR)-1,3,4,6,7,8,9,9a-octahydr…

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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) 2.62 8.37 -44.18 2 4 1 41 284.383 1 ↓
Mid Mid (pH 6-8) 2.62 6.13 -8.46 1 4 0 39 283.375 1 ↓

Analogs

44442583
44442583
14128808
14128808
35149892
35149892
35149891
35149891

Draw Identity 99% 90% 80% 70%

Popular Name: [(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-2-yl)methanone [(9aS)-1,3,4,6,7,8,9,9a-octahydr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.62 8.4 -44.04 2 4 1 41 284.383 1 ↓
Mid Mid (pH 6-8) 2.62 6.15 -8.4 1 4 0 39 283.375 1 ↓

Parameters Provided:

ring.id = 583153
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 = 583153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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