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Analogs

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Popular Name: 7-isopropyl-1,3-dimethyl-8-morpholino-xanthine 7-isopropyl-1,3-dimethyl-8-morph…

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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) 1.07 -2.05 -7.77 0 8 0 74 307.354 2 ↓

Analogs

542118
542118
13465553
13465553

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Popular Name: 8-(2,6-dimethylmorpholino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione 8-(2,6-dimethylmorpholino)-1,3-d…

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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) 0.99 5.01 -8.45 1 8 0 85 293.327 1 ↓
Mid Mid (pH 6-8) 0.99 5.39 -39.1 2 8 1 86 294.335 1 ↓

Analogs

13465553
13465553
542117
542117

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,6-dimethylmorpholino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione 8-(2,6-dimethylmorpholino)-1,3-d…

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) 0.99 5.02 -8.26 1 8 0 85 293.327 1 ↓
Mid Mid (pH 6-8) 0.99 5.41 -38.98 2 8 1 86 294.335 1 ↓

Parameters Provided:

ring.id = 78485
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 = 78485 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=78485&filter.purchasability=annotated

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