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Analogs

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

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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) 1.92 -0.8 -16.97 1 7 0 80 353.407 4 ↓

Analogs

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

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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) 2.37 -0.48 -16.94 1 7 0 80 367.434 4 ↓

Analogs

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

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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) 1.98 -0.79 -18.66 1 8 0 89 383.433 5 ↓

Analogs

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

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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 -0.78 -18.5 1 8 0 89 397.46 6 ↓

Analogs

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

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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) 2.09 -0.06 -17.92 1 7 0 80 371.397 4 ↓

Parameters Provided:

ring.id = 97785
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 = 97785 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=97785&filter.purchasability=annotated

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