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Popular Name: 1-(azocan-1-ylmethyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-(azocan-1-ylmethyl)-5,6,7-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) 2.87 12.65 -53.87 1 5 1 40 320.486 2 ↓
Hi High (pH 8-9.5) 2.87 11.93 -25.58 0 5 0 38 319.478 2 ↓

Analogs

8061782
8061782

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azocan-1-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-(azocan-1-ylmethyl)-5,7-dimeth…

Find On: PubMed — Wikipedia — Google

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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) 2.49 12.19 -55.57 1 5 1 40 306.459 2 ↓
Hi High (pH 8-9.5) 2.49 11.5 -26.3 0 5 0 38 305.451 2 ↓

Parameters Provided:

ring.id = 123486
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 = 123486 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=123486&filter.purchasability=annotated

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