UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11821215
11821215
11662011
11662011
11662012
11662012

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-5-[(2R)-2-(3-pyridyl)-1-piperidyl]-[1,2,5]oxadiazolo[3,4-e]pyrazin-6-amine N-(2-methoxyethyl)-5-[(2R)-2-(3-…

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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) 1.93 -2.67 -10.15 1 9 0 102 355.402 6 ↓
Lo Low (pH 4.5-6) 1.93 -2.55 -35.62 2 9 1 103 356.41 6 ↓

Analogs

11821214
11821214
11662011
11662011

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-5-[(2S)-2-(3-pyridyl)-1-piperidyl]-[1,2,5]oxadiazolo[3,4-e]pyrazin-6-amine N-(2-methoxyethyl)-5-[(2S)-2-(3-…

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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) 1.93 -2.77 -10.5 1 9 0 102 355.402 6 ↓
Lo Low (pH 4.5-6) 1.93 -2.66 -38.5 2 9 1 103 356.41 6 ↓

Parameters Provided:

ring.id = 53951
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 = 53951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=53951&filter.purchasability=annotated

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