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

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[4-(2-aminoethyl)-1-piperidyl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[4-(2-aminoethyl)-1-piperidyl…

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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) -0.47 5.01 -117.82 4 6 2 76 282.388 4 ↓
Hi High (pH 8-9.5) -0.47 3.61 -53.52 3 6 1 75 281.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[4-[2-(methylamino)ethyl]-1-piperidyl]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[4-[2-(methylami…

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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) 0.51 6.82 -113.67 3 6 2 65 296.415 5 ↓
Hi High (pH 8-9.5) 0.51 5.83 -48.98 2 6 1 64 295.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[(2S)-2-[2-(meth…

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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) 0.45 4.83 -57.26 2 6 1 64 295.407 5 ↓
Mid Mid (pH 6-8) 0.45 6.67 -132.18 3 6 2 65 296.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[(2R)-2-[2-(meth…

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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) 0.45 5.56 -57.08 2 6 1 64 295.407 5 ↓
Mid Mid (pH 6-8) 0.45 6.68 -131.12 3 6 2 65 296.415 5 ↓

Parameters Provided:

ring.id = 187216
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 = 187216 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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