UCSF
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Popular Name: N-{[(5-imino-6-methyl-3,4-diphenyl-5,6-dihydropyrimido[4,5-c]pyridazin-7-yl)sulfanyl]acetyl}-N'-methylurea N-{[(5-imino-6-methyl-3,4-diphen…

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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) -0.67 9.66 -44.88 4 9 1 127 460.543 5 ↓
Mid Mid (pH 6-8) 1.81 9.38 -22.68 3 9 0 126 459.535 5 ↓

Analogs

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Popular Name: 2-[(5-imino-6-methyl-3,4-diphenyl-5,6-dihydropyrimido[4,5-c]pyridazin-7-yl)sulfanyl]-1-(2-thienyl)ethanone 2-[(5-imino-6-methyl-3,4-dipheny…

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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) 1.62 13.86 -34.5 2 6 1 86 470.603 6 ↓
Mid Mid (pH 6-8) 4.10 13.57 -12.84 1 6 0 85 469.595 6 ↓

Parameters Provided:

ring.id = 196142
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 = 196142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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