UCSF
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Popular Name: 6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrido[2,3-b]pyrazine 6-[(3S)-3-pyrrolidin-1-ylpyrroli…

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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) 1.83 7.08 -49.86 1 5 1 46 270.36 2 ↓
Hi High (pH 8-9.5) 1.83 4.68 -11.5 0 5 0 45 269.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrido[2,3-b]pyrazine 6-[(3R)-3-pyrrolidin-1-ylpyrroli…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.83 7.13 -49.52 1 5 1 46 270.36 2 ↓
Hi High (pH 8-9.5) 1.83 4.74 -11.36 0 5 0 45 269.352 2 ↓

Parameters Provided:

ring.id = 185740
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 = 185740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=185740&filter.purchasability=annotated

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