UCSF
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Popular Name: (3S)-4-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methyl-piperazin-2-one (3S)-4-[6-(diethylaminomethyl)py…

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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) -0.70 5.11 -56.62 2 8 1 84 345.427 5 ↓
Mid Mid (pH 6-8) -0.70 3.02 -16.85 1 8 0 83 344.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methyl-piperazin-2-one (3R)-4-[6-(diethylaminomethyl)py…

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) -0.70 4.99 -59.44 2 8 1 84 345.427 5 ↓
Mid Mid (pH 6-8) -0.70 2.92 -19.45 1 8 0 83 344.419 5 ↓

Parameters Provided:

ring.id = 539103
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 = 539103 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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