UCSF
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Popular Name: (2R)-N-(imidazo[1,2-a]pyrimidin-6-ylmethyl)-N-methyl-1-(4-methyl-2-pyridyl)propan-2-amine (2R)-N-(imidazo[1,2-a]pyrimidin-…

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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) 1.91 9.07 -14.72 0 5 0 46 295.39 5 ↓
Mid Mid (pH 6-8) 1.91 9.42 -41.67 1 5 1 48 296.398 5 ↓
Lo Low (pH 4.5-6) 1.91 11.6 -119.81 2 5 2 49 297.406 5 ↓

Analogs

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Popular Name: (2S)-N-(imidazo[1,2-a]pyrimidin-6-ylmethyl)-N-methyl-1-(4-methyl-2-pyridyl)propan-2-amine (2S)-N-(imidazo[1,2-a]pyrimidin-…

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) 1.91 8.78 -13.81 0 5 0 46 295.39 5 ↓
Mid Mid (pH 6-8) 1.91 9.25 -44.04 1 5 1 48 296.398 5 ↓
Lo Low (pH 4.5-6) 1.91 11.52 -120.75 2 5 2 49 297.406 5 ↓

Parameters Provided:

ring.id = 409378
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 = 409378 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=409378&filter.purchasability=annotated

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