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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione 5-(piperazine-1-carbonyl)-1H-pyr…

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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) -2.65 -1.63 -68.74 4 7 1 103 225.228 1 ↓
Hi High (pH 8-9.5) -2.20 -4.14 -39 2 7 -1 101 223.212 1 ↓
Hi High (pH 8-9.5) -2.20 -4.79 -54.91 2 7 -1 101 223.212 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6R)-2,6-dimethylpiperazine-1-carbonyl]-1H-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) -1.99 -1.27 -60.07 4 7 1 103 253.282 1 ↓
Hi High (pH 8-9.5) -1.54 -4.42 -37.64 2 7 -1 101 251.266 1 ↓
Mid Mid (pH 6-8) -1.54 -3.18 -64.93 3 7 0 106 252.274 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6S)-2,6-dimethylpiperazine-1-carbonyl]-1H-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) -1.99 -0.34 -45.62 4 7 1 103 253.282 1 ↓
Hi High (pH 8-9.5) -1.54 -3.55 -34.56 2 7 -1 101 251.266 1 ↓
Mid Mid (pH 6-8) -1.54 -2.24 -53.86 3 7 0 106 252.274 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6R)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione 5-[(2R,6R)-2,6-dimethylpiperazin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.99 -0.51 -48.16 4 7 1 103 253.282 1 ↓
Hi High (pH 8-9.5) -1.54 -3.77 -33.37 2 7 -1 101 251.266 1 ↓
Mid Mid (pH 6-8) -1.54 -2.44 -55.08 3 7 0 106 252.274 1 ↓

Parameters Provided:

ring.id = 71056
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 = 71056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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