UCSF
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Analogs

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Popular Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]pyridine-4-carboxylic 2-[(3,5-dioxo-2H-1,2,4-triazin-6…

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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) 0.63 -0.68 -85.67 1 8 -2 135 264.222 3 ↓
Mid Mid (pH 6-8) 0.17 0.93 -44.56 2 8 -1 132 265.23 3 ↓

Analogs

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Popular Name: 6-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]pyridine-3-carboxylic 6-[(3,5-dioxo-2H-1,2,4-triazin-6…

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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) 0.34 -0.69 -90.99 1 8 -2 135 264.222 3 ↓
Mid Mid (pH 6-8) -0.12 0.91 -45.13 2 8 -1 132 265.23 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[(3,5-dioxo-2H-1,2,4-triazin-6…

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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) 1.11 0.55 -102.04 1 8 -2 135 292.276 3 ↓
Mid Mid (pH 6-8) 0.65 2.19 -51.43 2 8 -1 132 293.284 3 ↓
Lo Low (pH 4.5-6) 0.65 1.8 -43.8 3 8 0 133 294.292 3 ↓

Parameters Provided:

ring.id = 519969
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 = 519969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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