UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 4.03 8.46 -49.4 0 7 -1 97 425.486 5 ↓
Lo Low (pH 4.5-6) 3.58 10.24 -12.3 1 7 0 94 426.494 5 ↓

Analogs

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

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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) 3.98 9.17 -50.8 0 6 -1 88 395.46 4 ↓

Analogs

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

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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) 4.65 9.68 -45.55 0 6 -1 88 429.905 4 ↓
Lo Low (pH 4.5-6) 4.20 11.45 -10.41 1 6 0 85 430.913 4 ↓

Analogs

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Popular Name: (Z)-1-(4-bromophenyl)-5-((5-(cyclohexylthio)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-bromophenyl)-5-((5-(cyc…

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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) 4.79 9.79 -45.52 0 6 -1 88 474.356 4 ↓
Lo Low (pH 4.5-6) 4.33 11.57 -10.3 1 6 0 85 475.364 4 ↓

Analogs

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

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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) 4.89 10.59 -50.65 0 6 -1 88 423.514 5 ↓

Analogs

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

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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) 4.14 9.22 -45.1 0 6 -1 88 413.45 4 ↓
Lo Low (pH 4.5-6) 3.68 11 -10.64 1 6 0 85 414.458 4 ↓

Analogs

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Popular Name: (Z)-1-(3-chloro-4-methylphenyl)-5-((5-(cyclohexylthio)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) 5.24 10.24 -48.22 0 6 -1 88 443.932 4 ↓
Lo Low (pH 4.5-6) 4.79 12.02 -11.02 1 6 0 85 444.94 4 ↓

Analogs

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

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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) 4.85 8.96 -47.65 0 7 -1 97 459.931 5 ↓

Parameters Provided:

ring.id = 68590
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 = 68590 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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