UCSF
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Analogs

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Popular Name: 2-[(4-methoxybenzyl)sulfanyl]-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one 2-[(4-methoxybenzyl)sulfanyl]-8-…

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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) 3.85 -0.87 -16.2 0 5 0 56 313.382 4 ↓

Analogs

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Popular Name: 2-(methylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one 2-(methylsulfanyl)-4H-pyrido[1,2…

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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) 1.80 4.44 -16.54 0 4 0 47 193.231 1 ↓

Analogs

4499777
4499777

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Popular Name: 2-(benzylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one 2-(benzylsulfanyl)-4H-pyrido[1,2…

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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) 3.39 -1.22 -17.07 0 4 0 47 269.329 3 ↓

Analogs

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Popular Name: 2-[(4-chlorobenzyl)sulfanyl]-4H-pyrido[1,2-a][1,3,5]triazin-4-one 2-[(4-chlorobenzyl)sulfanyl]-4H-…

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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) 4.07 -1.36 -16.34 0 4 0 47 303.774 3 ↓

Analogs

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Popular Name: 2-[(4-methoxybenzyl)sulfanyl]-4H-pyrido[1,2-a][1,3,5]triazin-4-one 2-[(4-methoxybenzyl)sulfanyl]-4H…

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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) 3.45 -1.2 -17.93 0 5 0 56 299.355 4 ↓

Analogs

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Popular Name: ethyl 2-[(4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate ethyl 2-[(4-oxo-4H-pyrido[1,2-a]…

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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) 2.03 6.14 -17.56 0 6 0 74 265.294 5 ↓

Analogs

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Popular Name: 2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one 2-{[3-(trifluoromethyl)benzyl]su…

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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) 4.26 9.25 -17.9 0 4 0 47 337.326 4 ↓

Analogs

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Popular Name: 2-{[4-(tert-butyl)benzyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one 2-{[4-(tert-butyl)benzyl]sulfany…

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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) 5.10 -0.06 -16.68 0 4 0 47 325.437 4 ↓

Parameters Provided:

ring.id = 226967
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 = 226967 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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