UCSF
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Analogs

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Popular Name: 4-(3,6-dioxohexahydropyridazin-1-yl)-N-[(1S)-1-(2-pyridyl)ethyl]benzamide 4-(3,6-dioxohexahydropyridazin-1…

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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) 0.82 4.92 -14.37 2 7 0 91 338.367 4 ↓
Mid Mid (pH 6-8) 1.01 3.16 -46.06 1 7 -1 98 337.359 4 ↓
Lo Low (pH 4.5-6) 0.82 5.1 -46.37 3 7 1 93 339.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,6-dioxohexahydropyridazin-1-yl)-N-[(1R)-1-(2-pyridyl)ethyl]benzamide 4-(3,6-dioxohexahydropyridazin-1…

Find On: PubMed — Wikipedia — Google

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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) 0.82 4.92 -14.32 2 7 0 91 338.367 4 ↓
Mid Mid (pH 6-8) 1.01 3.16 -45.98 1 7 -1 98 337.359 4 ↓
Lo Low (pH 4.5-6) 0.82 5.1 -46.59 3 7 1 93 339.375 4 ↓

Parameters Provided:

ring.id = 428597
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 = 428597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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