UCSF
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Analogs

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Popular Name: 2-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-methyl-amino]-N-phenyl-acetamide 2-[[2-(1,4-dioxo-3H-phthalazin-2…

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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) 1.68 3.59 -65.74 1 8 -1 107 365.369 5 ↓
Lo Low (pH 4.5-6) 1.68 2.86 -26.68 2 8 0 105 366.377 5 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-methyl-amino]acetamide N-(5-chloro-2-methoxy-phenyl)-2-…

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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) 2.34 3.52 -66.07 1 9 -1 117 429.84 6 ↓
Lo Low (pH 4.5-6) 2.16 0.44 -23.04 2 9 0 117 430.848 6 ↓
Lo Low (pH 4.5-6) 2.34 2.79 -26.78 2 9 0 114 430.848 6 ↓

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]acetamide N-(2-methoxy-5-methyl-phenyl)-2-…

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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) 1.96 4.84 -20.89 2 8 0 102 380.404 6 ↓

Parameters Provided:

ring.id = 16340
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 = 16340 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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