UCSF
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Analogs

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Popular Name: 3-(2-methoxyethyl)-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 3-(2-methoxyethyl)-7,8-dimethyl-…

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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) 2.31 8.92 -12.61 0 6 0 51 314.389 4 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-(3-hydroxypropyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 1-(4-fluorophenyl)-3-(3-hydroxyp…

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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) 2.13 9.09 -52.7 2 6 1 63 333.387 4 ↓
Mid Mid (pH 6-8) 2.13 7.01 -13.73 1 6 0 62 332.379 4 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-(3-methoxypropyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 1-(4-fluorophenyl)-3-(3-methoxyp…

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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) 2.75 11.49 -52.56 1 6 1 52 347.414 5 ↓
Mid Mid (pH 6-8) 2.75 9.42 -12.68 0 6 0 51 346.406 5 ↓

Analogs

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Popular Name: 3-isopropyl-1-(4-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 3-isopropyl-1-(4-methoxyphenyl)-…

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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) 3.06 11.25 -43.11 1 6 1 52 329.424 3 ↓
Mid Mid (pH 6-8) 3.06 9.15 -10.74 0 6 0 51 328.416 3 ↓

Analogs

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Popular Name: 3-(2-methoxyethyl)-1-(4-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 3-(2-methoxyethyl)-1-(4-methoxyp…

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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) 2.37 8.2 -13.01 0 7 0 60 344.415 5 ↓

Analogs

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Popular Name: 3-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazi 3-[3-(dimethylamino)propyl]-1-(4…

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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) 2.69 10.87 -43.88 1 7 1 55 372.493 6 ↓
Lo Low (pH 4.5-6) 2.69 12.97 -116.39 2 7 2 56 373.501 6 ↓

Analogs

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Popular Name: 7-ethyl-8-methyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 7-ethyl-8-methyl-1-phenyl-3-prop…

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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) 3.67 10.97 -10.31 0 5 0 41 312.417 4 ↓

Analogs

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Popular Name: 7-ethyl-3-(3-methoxypropyl)-8-methyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 7-ethyl-3-(3-methoxypropyl)-8-me…

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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) 3.05 12.15 -48.42 1 6 1 52 343.451 6 ↓
Mid Mid (pH 6-8) 3.05 10.03 -12.81 0 6 0 51 342.443 6 ↓

Analogs

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Popular Name: 3-(2-dimethylaminoethyl)-7-ethyl-8-methyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 3-(2-dimethylaminoethyl)-7-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) 2.83 11.5 -44.51 1 6 1 46 342.467 5 ↓

Analogs

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Popular Name: 7-ethyl-3-(2-hydroxyethyl)-8-methyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 7-ethyl-3-(2-hydroxyethyl)-8-met…

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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) 2.16 9.34 -44.45 2 6 1 63 315.397 4 ↓
Mid Mid (pH 6-8) 2.16 7.2 -13.07 1 6 0 62 314.389 4 ↓

Analogs

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Popular Name: 7-ethyl-8-methyl-1-phenyl-3-(2-sulfanylethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 7-ethyl-8-methyl-1-phenyl-3-(2-s…

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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) 3.12 10.39 -10.15 0 5 0 41 330.457 4 ↓

Parameters Provided:

ring.id = 61436
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 = 61436 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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