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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36634385
36634385
36634389
36634389
36065940
36065940

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione 5-(4-ethylpiperazin-1-yl)sulfony…

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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) -1.03 3.91 -49.96 1 8 1 86 317.391 3 ↓
Mid Mid (pH 6-8) -1.03 1.66 -15.81 0 8 0 85 316.383 3 ↓

Analogs

4337700
4337700
4271555
4271555

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Popular Name: 1,3,6-trimethyl-5-(4-methylpiperazin-1-yl)sulfonyl-pyrimidine-2,4-dione 1,3,6-trimethyl-5-(4-methylpiper…

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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 3.83 -49.99 1 8 1 86 317.391 2 ↓
Mid Mid (pH 6-8) -1.19 1.48 -15.48 0 8 0 85 316.383 2 ↓

Analogs

4337700
4337700
4271555
4271555

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-1,3,6-trimethyl-pyrimidine-2,4-dione 5-(4-ethylpiperazin-1-yl)sulfony…

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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) -0.81 4.65 -51.57 1 8 1 86 331.418 3 ↓
Mid Mid (pH 6-8) -0.81 2.43 -16.25 0 8 0 85 330.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(2,2-difluoroethyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione 5-[4-(2,2-difluoroethyl)piperazi…

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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) -0.84 1.91 -16.97 0 8 0 85 352.363 4 ↓

Analogs

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Popular Name: 5-[(2S,6R)-2,6-dimethylpiperazin-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione 5-[(2S,6R)-2,6-dimethylpiperazin…

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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) -1.35 1.56 -52.5 2 8 1 98 317.391 2 ↓
Mid Mid (pH 6-8) -1.35 0.23 -13.54 1 8 0 93 316.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6S)-2,6-dimethylpiperazin-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione 5-[(2S,6S)-2,6-dimethylpiperazin…

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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) -1.35 2.23 -56.27 2 8 1 98 317.391 2 ↓
Mid Mid (pH 6-8) -1.35 0.93 -16.02 1 8 0 93 316.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6R)-2,6-dimethylpiperazin-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione 5-[(2R,6R)-2,6-dimethylpiperazin…

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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) -1.35 2.14 -55.89 2 8 1 98 317.391 2 ↓
Mid Mid (pH 6-8) -1.35 0.47 -15.41 1 8 0 93 316.383 2 ↓

Parameters Provided:

ring.id = 44634
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 = 44634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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