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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-(1,3-benzodioxol-5-yl)pyrimidin-4-amine 6-(1,3-benzodioxol-5-yl)pyrimidi…

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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) 1.40 3.61 -9.93 2 5 0 70 215.212 1 ↓
Lo Low (pH 4.5-6) 1.40 3.98 -34.99 3 5 1 72 216.22 1 ↓

Analogs

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Popular Name: 6-(1,3-benzodioxol-5-yl)pyrimidine-4-carboxylic 6-(1,3-benzodioxol-5-yl)pyrimidi…

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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) 1.60 5.42 -46.68 0 6 -1 84 243.198 2 ↓

Analogs

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Popular Name: 4-(1,3-benzodioxol-5-yl)-2,6-dichloro-pyrimidine 4-(1,3-benzodioxol-5-yl)-2,6-dic…

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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) 3.59 5.07 -8.5 0 4 0 44 269.087 1 ↓

Analogs

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Popular Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-propyl-propionamide 3-[[4-(1,3-benzodioxol-5-yl)-6-(…

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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) 4.66 7.14 -15.06 1 6 0 73 413.421 8 ↓

Analogs

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Popular Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic-acid-butyl-ester 3-[[4-(1,3-benzodioxol-5-yl)-6-(…

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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) 5.67 2.18 -12.11 0 6 0 70 428.432 10 ↓

Analogs

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Popular Name: 4-(1,3-benzodioxol-5-yl)-6-isopropoxy-pyrimidin-2-amine 4-(1,3-benzodioxol-5-yl)-6-isopr…

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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) 2.52 4.54 -8.48 2 6 0 80 273.292 3 ↓
Mid Mid (pH 6-8) 2.52 5.4 -31.98 3 6 1 81 274.3 3 ↓

Analogs

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Popular Name: [4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]cyanamide [4-(1,3-benzodioxol-5-yl)pyrimid…

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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) 1.95 8.67 -12.01 1 6 0 80 240.222 2 ↓
Hi High (pH 8-9.5) 1.95 8.55 -44.12 0 6 -1 82 239.214 2 ↓

Analogs

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Popular Name: 4-(1,3-benzodioxol-5-yl)-2-chloro-pyrimidine 4-(1,3-benzodioxol-5-yl)-2-chlor…

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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) 2.57 4.66 -11.66 0 4 0 44 234.642 1 ↓

Analogs

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Popular Name: 4-(1,3-benzodioxol-5-yl)-6-chloro-pyrimidine 4-(1,3-benzodioxol-5-yl)-6-chlor…

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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) 2.60 5.27 -7.89 0 4 0 44 234.642 1 ↓

Parameters Provided:

ring.id = 28730
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 = 28730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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