UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-[(1R)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-dimethyl-purine-2,6-dione 7-[(1R)-1-(3-isopropyl-1,2,4-oxa…

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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) 1.16 5.6 -11.06 0 9 0 101 318.337 3 ↓

Analogs

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Popular Name: 7-[(1S)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-dimethyl-purine-2,6-dione 7-[(1S)-1-(3-isopropyl-1,2,4-oxa…

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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) 1.16 5.61 -11.08 0 9 0 101 318.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]purine-2,6-dione 1,3-dimethyl-7-[(1R)-1-(3-propyl…

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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) 1.18 6.1 -11.22 0 9 0 101 318.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]purine-2,6-dione 1,3-dimethyl-7-[(1S)-1-(3-propyl…

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) 1.18 6.1 -11.04 0 9 0 101 318.337 4 ↓

Parameters Provided:

ring.id = 11621
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 = 11621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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