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

Analogs

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Popular Name: 6-amino-1,3-dimethyl-5-[(2S)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2S)-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) -0.79 4.23 -15.16 2 9 0 111 365.434 4 ↓
Lo Low (pH 4.5-6) -0.79 6.34 -42.52 3 9 1 112 366.442 4 ↓

Analogs

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Popular Name: 6-amino-1,3-dimethyl-5-[(2R)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2R)-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) -0.79 4.26 -15.15 2 9 0 111 365.434 4 ↓
Lo Low (pH 4.5-6) -0.79 6.38 -41.39 3 9 1 112 366.442 4 ↓

Analogs

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Popular Name: 6-amino-5-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]-1-isobutyl-pyrimidine-2,4-dione 6-amino-5-[2-[4-(2,2-difluoroeth…

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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) 0.06 2.09 -12.24 3 8 0 104 373.404 7 ↓
Lo Low (pH 4.5-6) 0.06 4.22 -40.42 4 8 1 106 374.412 7 ↓

Analogs

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Popular Name: 6-amino-5-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]-1-ethyl-pyrimidine-2,4-dione 6-amino-5-[2-[4-(2,2-difluoroeth…

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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 1.05 -12.72 3 8 0 104 345.35 6 ↓
Lo Low (pH 4.5-6) -0.69 3.18 -40.72 4 8 1 106 346.358 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-amino-5-[(2S)-2-[4-(2,2-difluo…

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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 2.76 -13.18 2 8 0 94 359.377 5 ↓
Lo Low (pH 4.5-6) -0.66 4.87 -40.37 3 8 1 95 360.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2R)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-amino-5-[(2R)-2-[4-(2,2-difluo…

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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 2.8 -13.04 2 8 0 94 359.377 5 ↓
Lo Low (pH 4.5-6) -0.66 4.91 -41.02 3 8 1 95 360.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]-1-isobutyl-3-methyl-pyrimidine-2,4-dione 6-amino-5-[2-[4-(2,2-difluoroeth…

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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) 0.13 4.26 -12.11 2 8 0 94 387.431 7 ↓
Lo Low (pH 4.5-6) 0.13 6.38 -40.23 3 8 1 95 388.439 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-amino-5-[2-[4-(2,2-difluoroeth…

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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) -0.99 2.23 -12.95 2 8 0 94 345.35 5 ↓
Lo Low (pH 4.5-6) -0.99 4.34 -40.81 3 8 1 95 346.358 5 ↓

Parameters Provided:

ring.id = 43133
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 = 43133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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