UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl 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) -0.42 4.96 -13.77 3 8 0 124 327.362 8 ↓

Analogs

16632663
16632663

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Popular Name: [2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] [2-(6-amino-1-cyclopropyl-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) 0.53 6.14 -18.01 3 7 0 101 356.473 8 ↓

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) -0.40 7.11 -17.37 0 7 0 94 277.28 6 ↓

Analogs

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Popular Name: 3-(2-tert-butoxyethyl)-1-cyclopropyl-2,4-dioxo-pyrimidine-5-carbonitrile 3-(2-tert-butoxyethyl)-1-cyclopr…

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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) 0.68 7.24 -14.02 0 6 0 77 277.324 5 ↓

Analogs

33756417
33756417

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Popular Name: 3-butyl-1-cyclopropyl-2,4-dioxo-pyrimidine-5-carbonitrile 3-butyl-1-cyclopropyl-2,4-dioxo-…

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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) 0.94 7.08 -12.46 0 5 0 68 233.271 4 ↓

Analogs

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Popular Name: 2-(5-cyano-3-cyclopropyl-2,6-dioxo-pyrimidin-1-yl)-N-ethoxy-acetamide 2-(5-cyano-3-cyclopropyl-2,6-dio…

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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) -1.05 5.38 -22.35 1 8 0 106 278.268 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-2,4-dioxo-3-(4-oxopentyl)pyrimidine-5-carbonitrile 1-cyclopropyl-2,4-dioxo-3-(4-oxo…

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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) -0.41 7 -18.23 0 6 0 85 261.281 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-isobutyl-2,4-dioxo-pyrimidine-5-carbonitrile 1-cyclopropyl-3-isobutyl-2,4-dio…

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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) 0.63 6.85 -11.97 0 5 0 68 233.271 3 ↓

Analogs

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Popular Name: ethyl 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) -0.26 6.86 -16.44 0 7 0 94 263.253 5 ↓

Analogs

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Popular Name: 3-allyl-1-cyclopropyl-2,4-dioxo-pyrimidine-5-carbonitrile 3-allyl-1-cyclopropyl-2,4-dioxo-…

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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) 0.15 6.1 -12.59 0 5 0 68 217.228 3 ↓

Analogs

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Popular Name: 3-(3-cyanopropyl)-1-cyclopropyl-2,4-dioxo-pyrimidine-5-carbonitrile 3-(3-cyanopropyl)-1-cyclopropyl-…

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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) -0.77 6.82 -18.1 0 6 0 92 244.254 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(2-methylallyl)-2,4-dioxo-pyrimidine-5-carbonitrile 1-cyclopropyl-3-(2-methylallyl)-…

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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) 0.70 6.75 -12.03 0 5 0 68 231.255 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(2-methylsulfonylethyl)-2,4-dioxo-pyrimidine-5-carbonitrile 1-cyclopropyl-3-(2-methylsulfony…

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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) -1.09 3.08 -22.34 0 7 0 102 283.309 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(2-hydroxyethyl)-2,4-dioxo-pyrimidine-5-carbonitrile 1-cyclopropyl-3-(2-hydroxyethyl)…

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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) -1.13 2.81 -14.44 1 6 0 88 221.216 3 ↓

Parameters Provided:

ring.id = 52407
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 = 52407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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