UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-(4-ethyl-2,3-dioxo-piperazin-1-yl)acetamide N-(2,5-dimethylphenyl)-2-(4-ethy…

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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) 1.25 7.05 -25.32 1 6 0 70 303.362 4 ↓

Analogs

4326263
4326263

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Popular Name: 2-(4-ethyl-2,3-dioxo-piperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide 2-(4-ethyl-2,3-dioxo-piperazin-1…

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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) 0.69 7.79 -24.91 1 6 0 70 317.389 4 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-(4-ethyl-2,3-dioxo-piperazin-1-yl)acetamide N-(2,4-difluorophenyl)-2-(4-ethy…

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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 5.71 -22.17 1 6 0 70 311.288 4 ↓

Analogs

35307929
35307929
12782388
12782388
3332824
3332824

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Popular Name: 2-(4-ethyl-2,3-dioxo-piperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide 2-(4-ethyl-2,3-dioxo-piperazin-1…

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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) 1.27 6.79 -23.57 1 6 0 70 343.305 5 ↓

Analogs

38335078
38335078

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-ethyl-2,3-dioxo-piperazin-1-yl)acetamide N-[2-chloro-5-(trifluoromethyl)p…

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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) 1.92 7.16 -24.23 1 6 0 70 377.75 5 ↓

Analogs

13056840
13056840
13074078
13074078

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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) 1.10 7.41 -24.51 1 8 0 96 347.371 7 ↓

Analogs

41718361
41718361
14093149
14093149
4326243
4326243

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Popular Name: N-(3-acetamidophenyl)-2-(4-ethyl-2,3-dioxo-piperazin-1-yl)acetamide N-(3-acetamidophenyl)-2-(4-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) -0.38 4.43 -29.88 2 8 0 99 332.36 5 ↓

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) 1.15 7.15 -24.52 1 8 0 96 347.371 6 ↓

Parameters Provided:

ring.id = 99642
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 = 99642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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