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

Analogs

12640584
12640584

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-9H-purin-8-yl)thio]-1-[(2R,6S)-2,6-dimethylpiperidino]ethanone 2-[(6-amino-9H-purin-8-yl)thio]-…

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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) 2.07 5.46 -10.41 3 7 0 101 320.422 3 ↓
Hi High (pH 8-9.5) 2.07 4.96 -42.46 2 7 -1 99 319.414 3 ↓
Lo Low (pH 4.5-6) 2.07 5.93 -39.96 4 7 1 102 321.43 3 ↓

Analogs

12640584
12640584

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-9H-purin-8-yl)thio]-1-[(2R,6R)-2,6-dimethylpiperidino]ethanone 2-[(6-amino-9H-purin-8-yl)thio]-…

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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) 2.07 -4.85 -9.68 3 7 0 100 320.422 3 ↓

Analogs

12640584
12640584

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-9H-purin-8-yl)thio]-1-[(2S,6S)-2,6-dimethylpiperidino]ethanone 2-[(6-amino-9H-purin-8-yl)thio]-…

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) 2.07 -4.84 -9.65 3 7 0 100 320.422 3 ↓

Parameters Provided:

ring.id = 225405
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 = 225405 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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