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Popular Name: 2-phenylhexahydropyrimidine-4,6-dione 2-phenylhexahydropyrimidine-4,6-…

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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) 0.23 2.15 -10.16 2 4 0 58 190.202 1 ↓

Analogs

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Popular Name: 2-(2-hydroxyphenyl)hexahydropyrimidine-4,6-dione 2-(2-hydroxyphenyl)hexahydropyri…

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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) 0.17 0.08 -9.27 3 5 0 78 206.201 1 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)hexahydropyrimidine-4,6-dione 2-(2-fluorophenyl)hexahydropyrim…

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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) 0.34 2.39 -10.4 2 4 0 58 208.192 1 ↓

Analogs

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Popular Name: 2-(4-hydroxyphenyl)hexahydropyrimidine-4,6-dione 2-(4-hydroxyphenyl)hexahydropyri…

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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) -0.25 -0.7 -12.14 3 5 0 78 206.201 1 ↓

Analogs

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Popular Name: 2-(4-isopropoxyphenyl)hexahydropyrimidine-4,6-dione 2-(4-isopropoxyphenyl)hexahydrop…

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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) 1.02 3 -11.62 2 5 0 67 248.282 3 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)hexahydropyrimidine-4,6-dione 2-(4-bromophenyl)hexahydropyrimi…

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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 2.78 -11.13 2 4 0 58 269.098 1 ↓

Analogs

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Popular Name: 2-(2-furyl)hexahydropyrimidine-4,6-dione 2-(2-furyl)hexahydropyrimidine-4…

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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) -0.52 -0.45 -10.35 2 5 0 71 180.163 1 ↓

Analogs

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Popular Name: 2-(4-nitrophenyl)hexahydropyrimidine-4,6-dione 2-(4-nitrophenyl)hexahydropyrimi…

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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) 0.19 2.82 -16.69 2 7 0 104 235.199 2 ↓

Analogs

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Popular Name: 2-(4-dimethylaminophenyl)hexahydropyrimidine-4,6-dione 2-(4-dimethylaminophenyl)hexahyd…

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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) 0.33 2.56 -10.96 2 5 0 61 233.271 2 ↓

Analogs

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Popular Name: 2-(2-hydroxy-1-naphthyl)hexahydropyrimidine-4,6-dione 2-(2-hydroxy-1-naphthyl)hexahydr…

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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) 1.33 1.13 -11.08 3 5 0 78 256.261 1 ↓

Analogs

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Popular Name: 2-(2,3-dimethoxyphenyl)hexahydropyrimidine-4,6-dione 2-(2,3-dimethoxyphenyl)hexahydro…

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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) 0.05 1.92 -12.8 2 6 0 77 250.254 3 ↓

Analogs

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Popular Name: 2-(4-pyridyl)hexahydropyrimidine-4,6-dione 2-(4-pyridyl)hexahydropyrimidine…

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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) -1.06 0.34 -12.55 2 5 0 71 191.19 1 ↓
Lo Low (pH 4.5-6) -1.06 0.62 -45.67 3 5 1 72 192.198 1 ↓

Analogs

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Popular Name: 2-(3-pyridyl)hexahydropyrimidine-4,6-dione 2-(3-pyridyl)hexahydropyrimidine…

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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) -1.01 0.34 -12.48 2 5 0 71 191.19 1 ↓
Lo Low (pH 4.5-6) -1.01 0.62 -45.45 3 5 1 72 192.198 1 ↓

Parameters Provided:

ring.id = 261311
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 = 261311 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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