UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-chloropyrimidin-4-yl)-5-BLAHyl-pyrimidine-2,4-dione 1-(2-chloropyrimidin-4-yl)-5-BLA…

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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) 2.72 10.98 -16.19 1 6 0 81 414.852 2 ↓

Analogs

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Popular Name: 1-(2-chloropyrimidin-4-yl)-5-[methyl(propyl)BLAHyl]pyrimidine-2,4-dione 1-(2-chloropyrimidin-4-yl)-5-[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) 4.43 13.86 -15.55 1 6 0 81 470.96 4 ↓

Analogs

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Popular Name: 1-(2-chloropyrimidin-4-yl)-5-[methyl(propyl)BLAHyl]pyrimidine-2,4-dione 1-(2-chloropyrimidin-4-yl)-5-[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) 4.43 13.86 -15.81 1 6 0 81 470.96 4 ↓

Analogs

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Popular Name: 1-(2-chloropyrimidin-4-yl)-5-[methoxy(methyl)BLAHyl]pyrimidine-2,4-dione 1-(2-chloropyrimidin-4-yl)-5-[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) 3.18 10.95 -16.4 1 7 0 90 458.905 3 ↓

Analogs

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Popular Name: 1-(2-chloropyrimidin-4-yl)-5-[methoxy(methyl)BLAHyl]pyrimidine-2,4-dione 1-(2-chloropyrimidin-4-yl)-5-[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) 3.18 10.95 -17.76 1 7 0 90 458.905 3 ↓

Analogs

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Popular Name: 2-[[4-[5-(dimethylBLAHyl)-2,4-dioxo-pyrimidin-1-yl]pyrimidin-2-yl]amino]acetic 2-[[4-[5-(dimethylBLAHyl)-2,4-di…

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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) 1.50 13.84 -54.92 2 9 -1 133 480.504 5 ↓

Analogs

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Popular Name: 1-(2-chloropyrimidin-4-yl)-5-[isopropyl(methyl)BLAHyl]pyrimidine-2,4-dione 1-(2-chloropyrimidin-4-yl)-5-[is…

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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) 4.64 13.56 -15.64 1 6 0 81 470.96 3 ↓

Analogs

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Popular Name: 1-(2-chloropyrimidin-4-yl)-5-[isopropyl(methyl)BLAHyl]pyrimidine-2,4-dione 1-(2-chloropyrimidin-4-yl)-5-[is…

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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) 4.64 13.55 -15.57 1 6 0 81 470.96 3 ↓

Analogs

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Popular Name: 2-[[4-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidin-2-yl]-methyl-amino]acetic 2-[[4-[5-[ethyl(methyl)BLAHyl]-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) 2.33 17 -56.51 1 9 -1 124 508.558 6 ↓

Analogs

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Popular Name: 2-[[4-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidin-2-yl]-methyl-amino]acetic 2-[[4-[5-[ethyl(methyl)BLAHyl]-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) 2.33 16.99 -56.52 1 9 -1 124 508.558 6 ↓

Analogs

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Popular Name: 2-[methyl-[4-[5-[methyl(propyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidin-2-yl]amino]acetic 2-[methyl-[4-[5-[methyl(propyl)B…

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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) 2.72 17.77 -56.45 1 9 -1 124 522.585 7 ↓

Analogs

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Popular Name: 2-[methyl-[4-[5-[methyl(propyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidin-2-yl]amino]acetic 2-[methyl-[4-[5-[methyl(propyl)B…

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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) 2.72 17.77 -56.38 1 9 -1 124 522.585 7 ↓

Analogs

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Popular Name: 1-(2-chloropyrimidin-4-yl)-5-(dimethylBLAHyl)pyrimidine-2,4-dione 1-(2-chloropyrimidin-4-yl)-5-(di…

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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) 3.57 12.31 -15.86 1 6 0 81 442.906 2 ↓

Analogs

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Popular Name: 1-(2,6-dichloropyrimidin-4-yl)-5-(dimethylBLAHyl)pyrimidine-2,4-dione 1-(2,6-dichloropyrimidin-4-yl)-5…

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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) 4.59 12.74 -11.38 1 6 0 81 477.351 2 ↓

Analogs

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Popular Name: 2-[[4-(2,4-dioxo-5-BLAHyl-pyrimidin-1-yl)pyrimidin-2-yl]amino]acetic 2-[[4-(2,4-dioxo-5-BLAHyl-pyrimi…

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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) 0.66 12.51 -55.24 2 9 -1 133 452.45 5 ↓

Parameters Provided:

ring.id = 198058
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 = 198058 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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