UCSF
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Analogs

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Popular Name: 1-methyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-methyl-5-[4-(trifluoromethyl)p…

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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) 1.24 9.89 -34.93 1 5 1 48 284.265 2 ↓
Hi High (pH 8-9.5) 1.24 9.42 -12.87 0 5 0 47 283.257 2 ↓

Analogs

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Popular Name: 2-isopropyl-5-(4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine 2-isopropyl-5-(4-methoxypyrimidi…

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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) 2.27 8.48 -28.66 1 6 1 57 288.375 3 ↓
Hi High (pH 8-9.5) 2.27 7.9 -11.45 0 6 0 56 287.367 3 ↓
Lo Low (pH 4.5-6) 2.27 8.8 -80.34 2 6 2 59 289.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-methyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 2-isopropyl-1-methyl-5-[4-(trifl…

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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) 3.23 10.85 -29.6 1 5 1 48 326.346 3 ↓
Hi High (pH 8-9.5) 3.23 10.3 -12.71 0 5 0 47 325.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-isopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N,N,6-trimethyl-pyrimidin-4-amine 2-(2-isopropyl-1-methyl-6,7-dihy…

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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) 2.76 12.34 -72.76 2 6 2 53 316.453 3 ↓
Hi High (pH 8-9.5) 2.76 11.76 -27.02 1 6 1 51 315.445 3 ↓
Hi High (pH 8-9.5) 2.76 11.53 -12.71 0 6 0 50 314.437 3 ↓

Parameters Provided:

ring.id = 353929
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 = 353929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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