UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-(2-methoxyphenyl)acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 3.41 10.34 -23.04 3 8 0 110 450.539 9 ↓

Analogs

21055296
21055296

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(2,4-dichlorophenyl)-N-isopentyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 4.68 11.88 -18.1 3 7 0 101 489.403 8 ↓

Analogs

31681624
31681624
3348461
3348461

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(3,4-dimethoxyphenyl)-N-isopentyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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 10.28 -27.6 3 9 0 120 480.565 10 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-[3-(trifluoromethyl)phenyl]acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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 11.99 -19.27 3 7 0 101 488.51 9 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-bromophenyl)-N-isopentyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 4.21 12.09 -24.55 3 7 0 101 499.409 8 ↓

Analogs

3348461
3348461

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-(3-methoxyphenyl)acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 3.43 10.39 -24.47 3 8 0 110 450.539 9 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-bromophenyl)-N-propyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 3.43 10.8 -24.56 3 7 0 101 471.355 7 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(3-fluorophenyl)-N-methyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 1.89 8.25 -23.87 3 7 0 101 382.395 5 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(2-chlorophenyl)-N-methyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 2.38 8.63 -21.54 3 7 0 101 398.85 5 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-methyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 3.03 9.15 -23.96 3 7 0 101 433.295 5 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-fluorophenyl)-N-methyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 1.91 8.25 -25.06 3 7 0 101 382.395 5 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(2,4-dichlorophenyl)-N-methyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 3.03 9.14 -21.24 3 7 0 101 433.295 5 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-bromophenyl)-N-methyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 2.56 8.81 -24.29 3 7 0 101 443.301 5 ↓

Analogs

34577788
34577788

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(3-methoxyphenyl)-N-methyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 1.78 7.48 -24.89 3 8 0 110 394.431 6 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-ethoxyphenyl)-N-methyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 2.18 8.37 -17.72 3 8 0 110 408.458 7 ↓

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(2,6-dichlorophenyl)-N-methyl-acetamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 3.01 9.04 -21.92 3 7 0 101 433.295 5 ↓

Parameters Provided:

ring.id = 5943
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 = 5943 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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