UCSF
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Analogs

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Popular Name: 2-[2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethoxy]benzonitrile 2-[2-(1-methyl-6,7-dihydro-4H-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) 0.86 7.96 -36.71 1 5 1 55 283.355 4 ↓
Hi High (pH 8-9.5) 0.86 7.49 -14.95 0 5 0 54 282.347 4 ↓

Analogs

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Popular Name: 4-[2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethoxy]benzonitrile 4-[2-(1-methyl-6,7-dihydro-4H-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) 0.91 7.93 -36.82 1 5 1 55 283.355 4 ↓
Hi High (pH 8-9.5) 0.91 7.47 -12.72 0 5 0 54 282.347 4 ↓

Analogs

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Popular Name: 1-methyl-5-[2-(3-methylphenoxy)ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-methyl-5-[2-(3-methylphenoxy)e…

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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) 1.58 8.23 -32.15 1 4 1 32 272.372 4 ↓
Hi High (pH 8-9.5) 1.58 7.76 -11.19 0 4 0 30 271.364 4 ↓

Parameters Provided:

ring.id = 350931
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 = 350931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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