UCSF
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Analogs

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Popular Name: 5-(1-benzyliminoethyl)-6-hydroxy-1H-pyrimidine-2,4-dione 5-(1-benzyliminoethyl)-6-hydroxy…

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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) 0.32 1.55 -9.43 3 6 0 95 259.265 3 ↓

Analogs

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Popular Name: 5-(1-benzyliminoethyl)-6-hydroxy-1,3-dimethyl-pyrimidine-2,4-dione 5-(1-benzyliminoethyl)-6-hydroxy…

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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 5.92 -8.42 1 6 0 73 287.319 3 ↓

Analogs

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Popular Name: 5-[[[4-(diethylaminomethyl)phenyl]methylamino]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trio 5-[[[4-(diethylaminomethyl)pheny…

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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) 0.56 8.76 -41.56 2 7 1 78 359.45 7 ↓

Analogs

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Popular Name: 5-[[[2-(diethylaminomethyl)phenyl]methylamino]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trio 5-[[[2-(diethylaminomethyl)pheny…

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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 8.89 -44.69 2 7 1 78 359.45 7 ↓

Analogs

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Popular Name: 5-[[[4-(dimethylaminomethyl)phenyl]methylamino]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-tri 5-[[[4-(dimethylaminomethyl)phen…

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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 7.4 -43.61 2 7 1 78 331.396 5 ↓
Hi High (pH 8-9.5) -0.19 4.93 -10.34 1 7 0 76 330.388 5 ↓

Parameters Provided:

ring.id = 1537
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 = 1537 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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