UCSF
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Popular Name: N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-amine N-[[(2R)-1-methylpyrrolidin-2-yl…

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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) 1.66 7.63 -51.69 2 6 1 60 301.296 4 ↓
Hi High (pH 8-9.5) 1.66 5.31 -11.56 1 6 0 58 300.288 4 ↓

Analogs

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Popular Name: N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-amine N-[[(2S)-1-methylpyrrolidin-2-yl…

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) 1.66 6.86 -48.73 2 6 1 60 301.296 4 ↓
Hi High (pH 8-9.5) 1.66 4.4 -12.84 1 6 0 58 300.288 4 ↓

Parameters Provided:

ring.id = 254216
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 = 254216 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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