UCSF
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Analogs

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Popular Name: N6-[(1,3-dimethylpyrazol-4-yl)methyl]-N6,8,9-trimethyl-purine-2,6-diamine N6-[(1,3-dimethylpyrazol-4-yl)me…

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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) 0.81 8.81 -15.8 2 8 0 91 300.37 3 ↓
Lo Low (pH 4.5-6) 0.81 9.29 -32.24 3 8 1 92 301.378 3 ↓

Analogs

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Popular Name: N6,8,9-trimethyl-N6-[(1,3,5-trimethylpyrazol-4-yl)methyl]purine-2,6-diamine N6,8,9-trimethyl-N6-[(1,3,5-trim…

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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) 1.03 9.02 -15.9 2 8 0 91 314.397 3 ↓
Lo Low (pH 4.5-6) 1.03 9.5 -32.13 3 8 1 92 315.405 3 ↓
Lo Low (pH 4.5-6) 1.03 9.17 -32.03 3 8 1 92 315.405 3 ↓

Parameters Provided:

ring.id = 170763
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 = 170763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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