UCSF
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Popular Name: N-(3-methoxypropyl)-2-[methyl-[(7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]amino]acetamide N-(3-methoxypropyl)-2-[methyl-[(…

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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) 0.95 6.24 -47.59 2 9 1 95 385.448 9 ↓
Mid Mid (pH 6-8) 0.95 3.82 -25.61 1 9 0 94 384.44 9 ↓

Analogs

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Popular Name: 2-[(7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl-propyl-amino]acetonitrile 2-[(7-oxo-2-phenyl-pyrazolo[3,4-…

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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) 1.75 6.52 -23.13 0 7 0 80 322.372 6 ↓

Analogs

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Popular Name: 6-[[methyl(propyl)amino]methyl]-2-phenyl-pyrazolo[3,4-d]pyridazin-7-one 6-[[methyl(propyl)amino]methyl]-…

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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) 1.97 8.57 -40.33 1 6 1 57 298.37 5 ↓
Hi High (pH 8-9.5) 1.97 6.09 -18.04 0 6 0 56 297.362 5 ↓

Analogs

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Popular Name: 6-[[[(1S)-1-methylbutyl]-pentyl-amino]methyl]-2-phenyl-pyrazolo[3,4-d]pyridazin-7-one 6-[[[(1S)-1-methylbutyl]-pentyl-…

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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) 4.80 13.35 -39.17 1 6 1 57 382.532 10 ↓
Hi High (pH 8-9.5) 4.80 10.09 -18.39 0 6 0 56 381.524 10 ↓

Parameters Provided:

ring.id = 165268
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 = 165268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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