UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5Z)-5-[[5-(1-naphthylsulfanyl)-2-furyl]methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[[5-(1-naphthylsulfanyl)-…

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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) 5.21 11.59 -52.79 0 6 -1 88 453.499 4 ↓
Lo Low (pH 4.5-6) 4.76 13.37 -15.96 1 6 0 85 454.507 4 ↓

Analogs

8738748
8738748

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Popular Name: (Z)-1-(4-methoxyphenyl)-5-((5-(naphthalen-1-ylthio)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-methoxyphenyl)-5-((5-(n…

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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) 4.82 10.24 -51.21 0 7 -1 97 469.498 5 ↓
Lo Low (pH 4.5-6) 4.36 12.01 -16.25 1 7 0 94 470.506 5 ↓

Analogs

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Popular Name: (Z)-5-((5-(naphthalen-1-ylthio)furan-2-yl)methylene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (Z)-5-((5-(naphthalen-1-ylthio)f…

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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) 4.76 10.94 -53.04 0 6 -1 88 439.472 4 ↓
Lo Low (pH 4.5-6) 4.31 12.72 -16.18 1 6 0 85 440.48 4 ↓

Analogs

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Popular Name: (Z)-1-(4-chlorophenyl)-5-((5-(naphthalen-1-ylthio)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-chlorophenyl)-5-((5-(na…

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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) 5.44 11.45 -47.59 0 6 -1 88 473.917 4 ↓
Lo Low (pH 4.5-6) 4.98 13.23 -14.41 1 6 0 85 474.925 4 ↓

Analogs

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Popular Name: (Z)-1-(4-ethylphenyl)-5-((5-(naphthalen-1-ylthio)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-ethylphenyl)-5-((5-(nap…

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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) 5.68 11.45 -53.54 0 6 -1 88 467.526 5 ↓
Lo Low (pH 4.5-6) 5.22 14.14 -15.68 1 6 0 85 468.534 5 ↓

Analogs

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Popular Name: (Z)-1-(4-fluorophenyl)-5-((5-(naphthalen-1-ylthio)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-fluorophenyl)-5-((5-(na…

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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) 4.93 11 -47.21 0 6 -1 88 457.462 4 ↓
Lo Low (pH 4.5-6) 4.47 12.77 -14.74 1 6 0 85 458.47 4 ↓

Analogs

33758900
33758900

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Popular Name: (Z)-1-(3-chloro-4-methylphenyl)-5-((5-(naphthalen-1-ylthio)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(3-chloro-4-methylphenyl)-…

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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) 6.03 11.11 -51.57 0 6 -1 88 487.944 4 ↓
Lo Low (pH 4.5-6) 5.57 13.83 -15.4 1 6 0 85 488.952 4 ↓

Parameters Provided:

ring.id = 68588
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 = 68588 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68588&filter.purchasability=annotated

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