UCSF
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Popular Name: 5-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2 5-[(2S)-1-methylpyrrolidine-2-ca…

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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) -0.31 5.26 -45.97 2 8 1 85 369.449 4 ↓
Hi High (pH 8-9.5) -0.31 3.26 -16.15 1 8 0 83 368.441 4 ↓
Lo Low (pH 4.5-6) -0.31 5.67 -81.11 3 8 2 86 370.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-pyridylmethyl)-5-[(2S)-pyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxa N-(2-pyridylmethyl)-5-[(2S)-pyrr…

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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) -0.55 3.16 -49.37 3 8 1 97 355.422 4 ↓
Lo Low (pH 4.5-6) -0.55 3.56 -84.42 4 8 2 98 356.43 4 ↓

Parameters Provided:

ring.id = 417268
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 = 417268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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