UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-anilino-5-methyl-2-(p-tolylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidin-3-one 7-anilino-5-methyl-2-(p-tolylmet…

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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) 4.15 14.15 -14.55 1 6 0 64 345.406 4 ↓

Analogs

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Popular Name: 7-anilino-5-methyl-2-[(4-vinylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one 7-anilino-5-methyl-2-[(4-vinylph…

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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) 4.56 14.56 -14.63 1 6 0 64 357.417 5 ↓

Analogs

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Popular Name: 7-anilino-2-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one 7-anilino-2-[(4-methoxyphenyl)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) 3.76 12.77 -15.27 1 7 0 73 361.405 5 ↓

Analogs

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Popular Name: 7-anilino-2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one 7-anilino-2-[(4-chlorophenyl)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) 4.38 13.99 -13.54 1 6 0 64 365.824 4 ↓

Analogs

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Popular Name: 2-benzyl-7-(4-fluoro-3-methyl-anilino)-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one 2-benzyl-7-(4-fluoro-3-methyl-an…

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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) 4.24 14.24 -15.36 1 6 0 64 363.396 4 ↓

Analogs

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Popular Name: 2-benzyl-7-(3-fluoro-4-methyl-anilino)-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one 2-benzyl-7-(3-fluoro-4-methyl-an…

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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) 4.24 14.25 -13.97 1 6 0 64 363.396 4 ↓

Analogs

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Popular Name: 3-[[7-(4-fluoroanilino)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]methyl]benzonitrile 3-[[7-(4-fluoroanilino)-5-methyl…

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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) 3.60 13.92 -17.39 1 7 0 88 374.379 4 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-5-methyl-7-(2-methylanilino)-[1,2,4]triazolo[4,3-a]pyrimidin-3-one 2-[(4-fluorophenyl)methyl]-5-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) 4.27 14.46 -13.79 1 6 0 64 363.396 4 ↓

Parameters Provided:

ring.id = 383213
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 = 383213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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