UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33926219
33926219
8767118
8767118

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Popular Name: (Z)-1-(4-ethylphenyl)-5-((2-methyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-ethylphenyl)-5-((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) 3.38 7.27 -56.69 1 6 -1 91 372.404 3 ↓
Lo Low (pH 4.5-6) 2.92 9.05 -15.2 2 6 0 88 373.412 3 ↓

Analogs

8767118
8767118

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Popular Name: (Z)-5-((2,5-dimethyl-1H-indol-3-yl)methylene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-5-((2,5-dimethyl-1H-indol-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) 3.80 7.94 -57.24 1 6 -1 91 386.431 3 ↓
Lo Low (pH 4.5-6) 3.35 9.71 -15.3 2 6 0 88 387.439 3 ↓

Analogs

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Popular Name: (5Z)-1-(2,3-dimethylphenyl)-5-[(7-ethyl-1H-indol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(2,3-dimethylphenyl)-5-[(…

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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) 4.12 8.12 -53.51 1 6 -1 91 386.431 3 ↓
Lo Low (pH 4.5-6) 3.67 9.91 -12.99 2 6 0 88 387.439 3 ↓

Analogs

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Popular Name: (5Z)-5-[(7-ethyl-1H-indol-3-yl)methylene]-1-(4-fluorophenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(7-ethyl-1H-indol-3-yl)m…

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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) 3.27 6.7 -46.69 1 6 -1 91 376.367 3 ↓

Analogs

8739585
8739585

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Popular Name: methyl methyl

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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) 2.98 7.94 -54.34 0 8 -1 106 481.282 5 ↓
Ref Reference (pH 7) 2.98 8.05 -53.51 0 8 -1 106 481.282 5 ↓
Lo Low (pH 4.5-6) 2.52 10.49 -15.81 1 8 0 103 482.29 5 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-5-(1H-indol-3-ylmethylene)hexahydropyrimidine-2,4,6-trione 1-(3-fluorophenyl)-5-(1H-indol-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) 2.59 4.68 -47.13 1 6 -1 91 348.313 2 ↓

Parameters Provided:

ring.id = 22788
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 = 22788 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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