UCSF
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Analogs

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Popular Name: 2-[5-(5,8-dimethoxy-4-methyl-2-quinolyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-(5,8-dimethoxy-4-methyl-2-q…

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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) 2.10 5.06 -29.27 2 7 1 74 355.418 5 ↓
Mid Mid (pH 6-8) 2.10 4.62 -14.16 1 7 0 73 354.41 5 ↓

Analogs

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Popular Name: 2-[5-(8-chloro-2-quinolyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-(8-chloro-2-quinolyl)-4,6-d…

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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) 2.04 5.63 -13.1 1 5 0 54 314.776 3 ↓

Analogs

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Popular Name: 2-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline-4-carboxylic 2-[1-(2-hydroxyethyl)-4,6-dihydr…

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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) 1.21 5.85 -43.46 2 7 0 96 324.34 4 ↓
Mid Mid (pH 6-8) 1.21 5.49 -49.05 1 7 -1 94 323.332 4 ↓

Parameters Provided:

ring.id = 521147
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 = 521147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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