UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233777
12233777

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

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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) 0.79 -0.78 -18.42 1 8 0 93 348.366 4 ↓

Analogs

12233582
12233582

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

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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) 1.24 -0.46 -18.35 1 8 0 93 362.393 4 ↓

Analogs

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

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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) 0.84 -0.77 -20.15 1 9 0 102 378.392 5 ↓

Analogs

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

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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) 1.22 -0.76 -20.06 1 9 0 102 392.419 6 ↓

Analogs

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

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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) 0.95 -0.04 -19.41 1 8 0 93 366.356 4 ↓

Parameters Provided:

ring.id = 97777
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 = 97777 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=97777&filter.purchasability=annotated

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