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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (Z)-6-(3-chloro-4-((4-methylbenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-((4-methylbenz…

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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) -0.28 11.18 -49.62 1 5 1 69 424.933 4 ↓

Analogs

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Popular Name: (Z)-6-(3-chloro-4-((4-fluorobenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-((4-fluorobenz…

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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) -0.57 10.61 -50.31 1 5 1 69 428.896 4 ↓

Analogs

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Popular Name: (Z)-6-(4-(benzyloxy)-3-chlorobenzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(4-(benzyloxy)-3-chloroben…

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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) -0.73 10.54 -49.48 1 5 1 69 410.906 4 ↓

Analogs

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Popular Name: (Z)-6-(3-chloro-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-((2-methylbenz…

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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) -0.33 11.18 -49.75 1 5 1 69 424.933 4 ↓

Analogs

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Popular Name: (Z)-6-(3-chloro-4-((2,4-dichlorobenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-((2,4-dichloro…

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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) 0.55 11.62 -47.98 1 5 1 69 479.796 4 ↓

Analogs

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Popular Name: (Z)-6-(3-bromo-4-((4-fluorobenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-bromo-4-((4-fluorobenzy…

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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) -0.44 10.72 -50.15 1 5 1 69 473.347 4 ↓

Analogs

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Popular Name: (6E)-6-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylene]-5-imino-thiazolo[3,2-a]pyrimidin- (6E)-6-[[3-chloro-4-[(3,4-dichlo…

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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) 0.10 10.47 -60.14 1 5 1 69 465.769 4 ↓

Analogs

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Popular Name: (6E)-6-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylene]-5-imino-thiazolo[3,2-a]pyrimidin-7-one (6E)-6-[[3-bromo-4-[(2-chlorophe…

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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) -0.42 10.19 -53.95 1 5 1 69 475.775 4 ↓

Analogs

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Popular Name: (Z)-6-(3-bromo-4-((2-chlorobenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-bromo-4-((2-chlorobenzy…

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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 11.23 -48.35 1 5 1 69 489.802 4 ↓

Analogs

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Popular Name: (6E)-6-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylene]-5-imino-thiazolo[3,2-a]pyrimidin-7-one (6E)-6-[[3-bromo-4-[(4-chlorophe…

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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) -0.37 10.13 -58.78 1 5 1 69 475.775 4 ↓

Analogs

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Popular Name: (6E)-6-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-5-imino-3-methyl-thiazolo[3,2-a]pyrim (6E)-6-[[3-chloro-4-[(2-fluoroph…

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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) -0.62 10.26 -44.23 1 5 1 69 428.896 4 ↓

Analogs

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Popular Name: (6E)-6-[[3-chloro-4-(m-tolylmethoxy)phenyl]methylene]-5-imino-3-methyl-thiazolo[3,2-a]pyrimidin-7-on (6E)-6-[[3-chloro-4-(m-tolylmeth…

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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) -0.31 10.78 -51.85 1 5 1 69 424.933 4 ↓

Parameters Provided:

ring.id = 105575
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 = 105575 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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