UCSF
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Analogs

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Popular Name: 4-(2-isopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methyl-pyrimidin-2-amine 4-(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) 1.60 9.3 -71.8 4 6 2 75 288.399 2 ↓
Hi High (pH 8-9.5) 1.60 9.22 -77.98 4 6 2 75 288.399 2 ↓
Mid Mid (pH 6-8) 1.60 8.86 -31.86 3 6 1 74 287.391 2 ↓

Analogs

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Popular Name: 2-[3,4-bis(methyloxy)phenyl]-3-({4-nitrophenyl}carbonyl)-1,3-thiazolidine 2-[3,4-bis(methyloxy)phenyl]-3-(…

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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) 1.75 8.77 -79.38 3 5 2 60 259.357 3 ↓
Hi High (pH 8-9.5) 1.75 7.78 -9.4 1 5 0 58 257.341 3 ↓
Mid Mid (pH 6-8) 1.75 8.25 -40.67 2 5 1 59 258.349 3 ↓

Parameters Provided:

ring.id = 355586
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 = 355586 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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