UCSF
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Analogs

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Popular Name: 3-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methyl-imidazo[1,2-a]pyridin-2-amine 3-[(cyclopropylamino)methyl]-N-(…

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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) 1.94 8.58 -43.36 2 5 1 46 289.403 8 ↓
Hi High (pH 8-9.5) 1.94 7.77 -10.28 1 5 0 42 288.395 8 ↓

Analogs

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Popular Name: N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine N-[(2-methylimidazo[1,2-a]pyridi…

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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) 1.69 6.96 -44.05 2 3 1 34 202.281 3 ↓
Hi High (pH 8-9.5) 1.69 5.67 -8.75 1 3 0 29 201.273 3 ↓
Lo Low (pH 4.5-6) 1.69 7.4 -91.47 3 3 2 35 203.289 3 ↓

Analogs

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Popular Name: 2-[[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-isopropyl-amino]ethanol 2-[[3-[(cyclopropylamino)methyl]…

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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) 1.73 7.61 -39.09 3 5 1 57 289.403 7 ↓
Hi High (pH 8-9.5) 1.73 6.03 -10.08 2 5 0 53 288.395 7 ↓

Parameters Provided:

ring.id = 14854
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 = 14854 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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