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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (Z)-6-((1-(3,4-dichlorophenyl)-1H-pyrrol-2-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(3,4-dichlorophenyl)-1…

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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) 2.03 8.88 -12.68 1 6 0 76 404.282 2 ↓

Analogs

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Popular Name: (Z)-6-((1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(3-chloro-4-methoxyphe…

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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) 1.41 7.75 -15 1 7 0 85 399.863 3 ↓

Analogs

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Popular Name: (Z)-5-imino-2-methyl-6-((1-(3-nitrophenyl)-1H-pyrrol-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-2-methyl-6-((1-(3-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) 0.68 8.61 -18.16 1 9 0 122 380.389 3 ↓

Analogs

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Popular Name: (Z)-6-((1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl)methylene)-5-imino-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(3,4-dimethylphenyl)-1…

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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) 2.64 10.71 -12.55 1 6 0 76 391.5 4 ↓

Analogs

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Popular Name: (Z)-6-((1-(3-chlorophenyl)-1H-pyrrol-2-yl)methylene)-5-imino-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(3-chlorophenyl)-1H-py…

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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) 2.47 10.01 -12.23 1 6 0 76 397.891 4 ↓

Analogs

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Popular Name: (Z)-6-((1-(4-ethoxyphenyl)-1H-pyrrol-2-yl)methylene)-5-imino-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(4-ethoxyphenyl)-1H-py…

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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) 2.04 9.72 -12.5 1 7 0 85 407.499 6 ↓

Analogs

4909153
4909153

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-5-imino-6-((1-(4-methoxyphenyl)-1H-pyrrol-2-yl)methylene)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-6-((1-(4-methoxyphen…

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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) 1.66 8.82 -13.13 1 7 0 85 393.472 5 ↓

Analogs

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Popular Name: (Z)-2-butyl-6-((1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-2-butyl-6-((1-(2,4-dimethylp…

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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) 3.20 11.14 -13.75 1 6 0 76 405.527 5 ↓

Analogs

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Popular Name: (Z)-2-butyl-6-((1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-2-butyl-6-((1-(3,4-dimethylp…

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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) 3.20 11.49 -12.69 1 6 0 76 405.527 5 ↓

Analogs

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Popular Name: (Z)-2-butyl-6-((1-(3-fluorophenyl)-1H-pyrrol-2-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-2-butyl-6-((1-(3-fluoropheny…

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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) 2.52 10.34 -13.2 1 6 0 76 395.463 5 ↓

Analogs

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Popular Name: (Z)-2-butyl-6-((1-(3-chlorophenyl)-1H-pyrrol-2-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-2-butyl-6-((1-(3-chloropheny…

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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) 3.03 10.79 -12.34 1 6 0 76 411.918 5 ↓

Analogs

4909153
4909153

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-butyl-6-((1-(4-ethoxyphenyl)-1H-pyrrol-2-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-2-butyl-6-((1-(4-ethoxypheny…

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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) 2.60 10.5 -12.61 1 7 0 85 421.526 7 ↓

Analogs

4909134
4909134

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Popular Name: (Z)-2-butyl-5-imino-6-((1-(4-isopropylphenyl)-1H-pyrrol-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-2-butyl-5-imino-6-((1-(4-iso…

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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) 3.68 12.19 -11.99 1 6 0 76 419.554 6 ↓

Analogs

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Popular Name: (Z)-6-((1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl)methylene)-5-imino-2-pentyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(3,4-dimethylphenyl)-1…

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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) 3.71 12.27 -12.7 1 6 0 76 419.554 6 ↓

Analogs

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Popular Name: (Z)-5-imino-2-isopropyl-6-((1-(p-tolyl)-1H-pyrrol-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-2-isopropyl-6-((1-(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) 2.04 10.02 -11.91 1 6 0 76 377.473 3 ↓

Analogs

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Popular Name: (Z)-6-((1-(2-chlorophenyl)-1H-pyrrol-2-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(2-chlorophenyl)-1H-py…

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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) 2.43 9.5 -12.99 1 6 0 76 397.891 3 ↓

Analogs

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Popular Name: (Z)-5-imino-2-isopropyl-6-((1-(4-isopropylphenyl)-1H-pyrrol-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-2-isopropyl-6-((1-(4…

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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) 3.10 10.75 -12.39 1 6 0 76 405.527 4 ↓

Analogs

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Popular Name: (Z)-6-((1-(4-chlorophenyl)-1H-pyrrol-2-yl)methylene)-5-imino-2-isobutyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(4-chlorophenyl)-1H-py…

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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) 2.53 10.72 -10.87 1 6 0 76 411.918 4 ↓

Parameters Provided:

ring.id = 132696
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 = 132696 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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