UCSF
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Analogs

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Popular Name: 6-[(2-oxo-2-piperazin-1-yl-ethyl)amino]-2H-1,2,4-triazine-3,5-dione 6-[(2-oxo-2-piperazin-1-yl-ethyl…

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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) -2.58 -2.75 -55.09 5 9 1 128 255.258 3 ↓
Hi High (pH 8-9.5) -2.13 -5.75 -39.22 3 9 -1 126 253.242 3 ↓
Mid Mid (pH 6-8) -2.58 -4.08 -11.23 4 9 0 123 254.25 3 ↓

Analogs

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Popular Name: 2,4-dimethyl-6-[(2-oxo-2-piperazin-1-yl-ethyl)amino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[(2-oxo-2-piperaz…

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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) -2.45 0.97 -55.71 3 9 1 106 283.312 3 ↓
Mid Mid (pH 6-8) -2.45 -0.32 -11.38 2 9 0 101 282.304 3 ↓

Parameters Provided:

ring.id = 572420
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 = 572420 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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