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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,3-dioxo-6-phenyl-7-thioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-8-yl)-N,N-dimethyl-acetamide 2-(3,3-dioxo-6-phenyl-7-thioxo-3…

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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) 0.48 -4.99 -31.5 0 6 0 60 353.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,3-dioxo-6-phenyl-7-thioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-8-yl)-N,N-dimethyl-acetamide 2-(3,3-dioxo-6-phenyl-7-thioxo-3…

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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) 0.48 -5.32 -26.78 0 6 0 60 353.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,3-dioxo-6-phenyl-7-thioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-8-yl)-N,N-dimethyl-acetamide 2-(3,3-dioxo-6-phenyl-7-thioxo-3…

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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) 0.48 -5.36 -24.59 0 6 0 60 353.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,3-dioxo-6-phenyl-7-thioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-8-yl)-N,N-dimethyl-acetamide 2-(3,3-dioxo-6-phenyl-7-thioxo-3…

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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) 0.48 -4.99 -27.89 0 6 0 60 353.469 3 ↓

Analogs

4168724
4168724
40166247
40166247
2697120
2697120
2697122
2697122

Draw Identity 99% 90% 80% 70%

Popular Name: 8-ethyl-3,3-dioxo-6-(p-tolyl)-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 8-ethyl-3,3-dioxo-6-(p-tolyl)-3$…

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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) 2.40 -4.46 -29.04 0 4 0 40 310.444 2 ↓

Analogs

40166247
40166247
4168720
4168720
2697120
2697120

Draw Identity 99% 90% 80% 70%

Popular Name: 8-ethyl-3,3-dioxo-6-(p-tolyl)-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 8-ethyl-3,3-dioxo-6-(p-tolyl)-3$…

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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) 2.40 -4.86 -19.48 0 4 0 40 310.444 2 ↓

Analogs

40166950
40166950
40166951
40166951
40166952
40166952
40166953
40166953
40167332
40167332

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-3,3-dioxo-8-(p-tolyl)-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 6-methyl-3,3-dioxo-8-(p-tolyl)-3…

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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) 2.02 -4.69 -29.34 0 4 0 40 296.417 1 ↓

Analogs

4168731
4168731
4168732
4168732
4168734
4168734
6669621
6669621
6669622
6669622

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-methoxyphenyl)-8-methyl-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 6-(4-methoxyphenyl)-8-methyl-3,3…

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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) 1.63 -4.96 -29.52 0 5 0 49 312.416 2 ↓

Analogs

4168732
4168732
4168734
4168734
6669621
6669621
6669622
6669622
6669623
6669623

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-methoxyphenyl)-8-methyl-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 6-(4-methoxyphenyl)-8-methyl-3,3…

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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) 1.63 -5.4 -20.98 0 5 0 49 312.416 2 ↓

Analogs

4168734
4168734
6669621
6669621
6669622
6669622
6669623
6669623
6669624
6669624

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-methoxyphenyl)-8-methyl-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 6-(4-methoxyphenyl)-8-methyl-3,3…

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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) 1.63 -5.34 -20.79 0 5 0 49 312.416 2 ↓

Analogs

40167029
40167029
40167030
40167030
40167031
40167031
40167032
40167032
40175926
40175926

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-methoxyphenyl)-8-methyl-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 6-(4-methoxyphenyl)-8-methyl-3,3…

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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) 1.63 -4.88 -22.57 0 5 0 49 312.416 2 ↓

Parameters Provided:

ring.id = 7153
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 = 7153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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