UCSF
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Analogs

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Popular Name: 6-[(2R)-4-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyrid 6-[(2R)-4-(3H-imidazo[4,5-b]pyri…

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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) 0.80 7.65 -22.11 1 9 0 91 349.402 3 ↓
Lo Low (pH 4.5-6) 0.80 9.89 -62.36 2 9 1 92 350.41 3 ↓

Analogs

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Popular Name: 6-[(2S)-4-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyrid 6-[(2S)-4-(3H-imidazo[4,5-b]pyri…

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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) 0.80 7.78 -20.11 1 9 0 91 349.402 3 ↓
Lo Low (pH 4.5-6) 0.80 10.05 -62.44 2 9 1 92 350.41 3 ↓

Parameters Provided:

ring.id = 351397
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 = 351397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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