UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233765
12233765
12233951
12233951

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-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) 1.91 -0.83 -19.34 1 9 0 99 391.387 4 ↓

Analogs

12233571
12233571

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxam N-(1,3-benzodioxol-5-ylmethyl)-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) 2.36 -0.51 -19.3 1 9 0 99 405.414 4 ↓

Analogs

12233571
12233571

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-methoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3- N-(1,3-benzodioxol-5-ylmethyl)-8…

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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 -0.82 -21.13 1 10 0 108 421.413 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-c N-(1,3-benzodioxol-5-ylmethyl)-8…

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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) 2.35 -0.81 -20.99 1 10 0 108 435.44 6 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-fluorophenyl)-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-c N-(1,3-benzodioxol-5-ylmethyl)-8…

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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) 2.08 -0.09 -20.44 1 9 0 99 409.377 4 ↓

Parameters Provided:

ring.id = 97771
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 = 97771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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