UCSF
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Analogs

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Popular Name: (Z)-5-imino-3-phenyl-6-((5-phenylfuran-2-yl)methylene)-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-3-phenyl-6-((5-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) -0.60 12.46 -44.73 1 5 1 73 398.467 3 ↓

Analogs

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Popular Name: (Z)-6-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((5-(2-chlorophenyl)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) 0.03 12.83 -43.77 1 5 1 73 432.912 3 ↓

Analogs

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Popular Name: (Z)-6-((5-(4-chlorophenyl)furan-2-yl)methylene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((5-(4-chlorophenyl)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) 0.08 13.03 -43.77 1 5 1 73 432.912 3 ↓

Analogs

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Popular Name: (6Z)-6-[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methylene]-5-imino-3-phenyl-thiazolo[3,2-a]pyrimidin- (6Z)-6-[[5-(3-chloro-4-methoxy-p…

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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) 0.07 12.32 -45.2 1 6 1 82 462.938 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) -0.05 14.01 -47.36 1 7 1 99 470.53 6 ↓

Analogs

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Popular Name: (Z)-6-((5-(2-chloro-4-nitrophenyl)furan-2-yl)methylene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((5-(2-chloro-4-nitropheny…

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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) -0.03 13.53 -47.34 1 8 1 119 477.909 4 ↓

Analogs

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Popular Name: (Z)-6-((5-(2,4-dichlorophenyl)furan-2-yl)methylene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((5-(2,4-dichlorophenyl)fu…

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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) 0.69 13.33 -43.36 1 5 1 73 467.357 3 ↓

Analogs

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Popular Name: (6Z)-5-imino-6-[[5-(2-nitrophenyl)-2-furyl]methylene]-3-phenyl-thiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[[5-(2-nitropheny…

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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) -0.69 12.43 -45.74 1 8 1 119 443.464 4 ↓

Analogs

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Popular Name: 4-[5-[(Z)-(5-imino-7-oxo-3-phenyl-thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-furyl]benzoic 4-[5-[(Z)-(5-imino-7-oxo-3-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) -0.69 13.04 -84.37 1 7 0 113 441.468 4 ↓

Analogs

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Popular Name: (Z)-6-((5-(4-fluorophenyl)furan-2-yl)methylene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((5-(4-fluorophenyl)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) -0.43 12.58 -44.17 1 5 1 73 416.457 3 ↓

Analogs

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Popular Name: (Z)-5-imino-6-((5-(2-methyl-4-nitrophenyl)furan-2-yl)methylene)-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-6-((5-(2-methyl-4-ni…

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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) -0.26 13.65 -46.44 1 8 1 119 457.491 4 ↓

Parameters Provided:

ring.id = 171029
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 = 171029 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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