UCSF
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Analogs

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Popular Name: 1-[(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone 1-[(3aR)-3a,4,6,7-tetrahydroimid…

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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) 1.41 6.84 -46.38 2 5 1 59 272.328 3 ↓
Mid Mid (pH 6-8) 1.41 6.37 -13.22 1 5 0 58 271.32 3 ↓
Mid Mid (pH 6-8) 1.41 6.38 -16.89 1 5 0 58 271.32 3 ↓

Analogs

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Popular Name: 1-[(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-chlorophenyl)ethanone 1-[(3aR)-3a,4,6,7-tetrahydroimid…

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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) 2.00 7.98 -44.18 2 4 1 50 276.747 2 ↓
Mid Mid (pH 6-8) 2.00 7.5 -11.1 1 4 0 49 275.739 2 ↓
Mid Mid (pH 6-8) 2.00 7.51 -13.87 1 4 0 49 275.739 2 ↓

Analogs

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Popular Name: 1-[(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone 1-[(3aR)-3a,4,6,7-tetrahydroimid…

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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) 1.51 7.61 -46.77 2 4 1 50 260.292 2 ↓
Mid Mid (pH 6-8) 1.51 7.14 -12.27 1 4 0 49 259.284 2 ↓
Mid Mid (pH 6-8) 1.51 7.15 -16.39 1 4 0 49 259.284 2 ↓

Parameters Provided:

ring.id = 380200
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 = 380200 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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