UCSF
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Analogs

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Popular Name: 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-[(4-ethoxyphenyl)methyl]-1,3-d…

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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) 2.08 8.77 -9.07 0 7 0 80 395.459 7 ↓
Lo Low (pH 4.5-6) 2.08 9.23 -39.92 1 7 1 81 396.467 7 ↓

Analogs

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Popular Name: 5-[(2-methoxyphenyl)methyl]-1,3-dimethyl-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-[(2-methoxyphenyl)methyl]-1,3-…

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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) 1.66 9.27 -8.59 0 7 0 80 381.432 6 ↓
Lo Low (pH 4.5-6) 1.66 9.73 -38.25 1 7 1 81 382.44 6 ↓

Analogs

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Popular Name: 5-[(4-isopropylphenyl)methyl]-1,3-dimethyl-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-[(4-isopropylphenyl)methyl]-1,…

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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) 3.16 10.47 -7.64 0 6 0 71 393.487 6 ↓
Lo Low (pH 4.5-6) 3.16 10.93 -38.04 1 6 1 72 394.495 6 ↓

Analogs

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Popular Name: 5-[(4-isopropoxyphenyl)methyl]-1,3-dimethyl-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-[(4-isopropoxyphenyl)methyl]-1…

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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) 2.44 9.39 -8.98 0 7 0 80 409.486 7 ↓
Lo Low (pH 4.5-6) 2.44 9.85 -39.86 1 7 1 81 410.494 7 ↓

Analogs

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Popular Name: 5-[(4-allyloxyphenyl)methyl]-1,3-dimethyl-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-[(4-allyloxyphenyl)methyl]-1,3…

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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) 2.35 9.35 -9.17 0 7 0 80 407.47 8 ↓
Lo Low (pH 4.5-6) 2.35 9.81 -40.01 1 7 1 81 408.478 8 ↓

Parameters Provided:

ring.id = 195282
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 = 195282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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