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Analogs

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Popular Name: N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-cycloheptyl-4-oxo-8-phenyl-6,7…

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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) 3.04 -0.22 -17.14 1 7 0 80 353.426 3 ↓

Analogs

12233722
12233722

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Popular Name: N-cycloheptyl-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-cycloheptyl-4-oxo-8-(p-tolyl)-…

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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) 3.49 0.1 -16.99 1 7 0 80 367.453 3 ↓

Analogs

12233903
12233903

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

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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) 3.09 -0.21 -18.8 1 8 0 89 383.452 4 ↓

Analogs

12234091
12234091

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

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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) 3.47 -0.2 -18.57 1 8 0 89 397.479 5 ↓

Analogs

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

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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) 3.20 0.52 -17.98 1 7 0 80 371.416 3 ↓

Parameters Provided:

ring.id = 97763
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 = 97763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=97763&filter.purchasability=annotated

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