UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxa 4-oxo-N-[3-(2-oxopyrrolidin-1-yl…

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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) 0.65 -1.04 -24.35 1 9 0 100 382.424 6 ↓

Analogs

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

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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) 1.10 -0.72 -24.26 1 9 0 100 396.451 6 ↓

Analogs

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Popular Name: 8-(4-methoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydroimidazo[2,3-c][1,2,4]triazin 8-(4-methoxyphenyl)-4-oxo-N-[3-(…

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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) 0.71 -1.03 -25.97 1 10 0 110 412.45 7 ↓

Analogs

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Popular Name: 8-(4-ethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydroimidazo[2,3-c][1,2,4]triazine 8-(4-ethoxyphenyl)-4-oxo-N-[3-(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) 1.08 -1.01 -25.86 1 10 0 110 426.477 8 ↓

Analogs

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Popular Name: 8-(4-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydroimidazo[2,3-c][1,2,4]triazine 8-(4-fluorophenyl)-4-oxo-N-[3-(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) 0.81 -0.3 -25.27 1 9 0 100 400.414 6 ↓

Parameters Provided:

ring.id = 97798
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 = 97798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=97798&filter.purchasability=annotated

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