UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl 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) 1.19 7.01 -24.04 2 8 0 102 342.355 5 ↓

Analogs

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Popular Name: 5-fluoro-2-[(4-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)methyl]benzonitrile 5-fluoro-2-[(4-oxo-5,6,7,8-tetra…

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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) 1.65 7.63 -8.83 1 5 0 71 284.294 2 ↓

Analogs

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Popular Name: 3-[(2-methyl-3-nitro-phenyl)methyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-one 3-[(2-methyl-3-nitro-phenyl)meth…

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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) 2.12 8.48 -14.27 1 7 0 93 300.318 3 ↓

Analogs

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Popular Name: 3-benzyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-one 3-benzyl-5,6,7,8-tetrahydropyrid…

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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) 1.81 7.8 -14.72 1 4 0 47 241.294 2 ↓

Analogs

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Popular Name: 3-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-one 3-[(4-chlorophenyl)methyl]-5,6,7…

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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) 2.49 8.32 -14.9 1 4 0 47 275.739 2 ↓

Analogs

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Popular Name: 2-(4-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N-phenyl-acetamide 2-(4-oxo-5,6,7,8-tetrahydropyrid…

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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) 1.02 6.35 -21.13 2 6 0 76 284.319 3 ↓

Analogs

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Popular Name: 2-(4-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N-(2-thienylmethyl)acetamide 2-(4-oxo-5,6,7,8-tetrahydropyrid…

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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) 0.62 5.58 -19.48 2 6 0 76 304.375 4 ↓

Analogs

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Popular Name: 2-(3-furyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one 2-(3-furyl)-5,6,7,8-tetrahydro-3…

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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) 1.21 3.07 -12.75 2 5 0 71 217.228 1 ↓

Analogs

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Popular Name: 2-pyrimidin-4-yl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one 2-pyrimidin-4-yl-5,6,7,8-tetrahy…

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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) 0.21 3.32 -12.09 2 6 0 84 229.243 1 ↓

Parameters Provided:

ring.id = 404486
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 = 404486 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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