UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1 [(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) 0.78 6.28 -93.3 3 6 2 59 305.426 1 ↓
Hi High (pH 8-9.5) 0.78 2.78 -10.97 1 6 0 53 303.41 1 ↓
Mid Mid (pH 6-8) 0.78 4.04 -53.55 2 6 1 58 304.418 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1 [(9aS)-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) 0.78 6.29 -94.62 3 6 2 59 305.426 1 ↓
Hi High (pH 8-9.5) 0.78 2.76 -10.81 1 6 0 53 303.41 1 ↓
Mid Mid (pH 6-8) 0.78 4.02 -54.04 2 6 1 58 304.418 1 ↓

Parameters Provided:

ring.id = 400344
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 = 400344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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