UCSF
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Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-N-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-N-methyl-methanamine 1-(3,4-dimethoxyphenyl)-N-(3H-im…

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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) 1.48 6.77 -40.02 1 6 0 63 312.373 6 ↓
Hi High (pH 8-9.5) 1.48 5.05 -13.85 1 6 0 63 312.373 6 ↓
Mid Mid (pH 6-8) 1.48 7.35 -53.13 2 6 1 64 313.381 6 ↓

Analogs

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Popular Name: N-benzyl-N-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)ethanamine N-benzyl-N-(3H-imidazo[4,5-b]pyr…

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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) 2.21 7.8 -32.98 1 4 0 44 266.348 5 ↓
Hi High (pH 8-9.5) 2.21 6.72 -8.96 1 4 0 45 266.348 5 ↓
Mid Mid (pH 6-8) 2.21 8.86 -40.66 2 4 1 46 267.356 5 ↓

Parameters Provided:

ring.id = 159505
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 = 159505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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