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

Analogs

4168545
4168545
6821894
6821894

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Popular Name: 9-bromo-3-phenyl-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 9-bromo-3-phenyl-6-(2-thienyl)-2…

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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) 5.69 -1.82 -7.23 1 3 0 41 382.286 2 ↓

Analogs

6821898
6821898
6844181
6844181

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Popular Name: 9-methyl-3-(p-tolyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 9-methyl-3-(p-tolyl)-6-(2-thieny…

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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) 5.78 -0.41 -8.98 1 3 0 41 331.444 2 ↓

Analogs

6821894
6821894
4168536
4168536

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Popular Name: 9-bromo-3-(p-tolyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 9-bromo-3-(p-tolyl)-6-(2-thienyl…

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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) 6.14 -1.5 -7.07 1 3 0 41 396.313 2 ↓

Analogs

6821901
6821901

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Popular Name: 9-chloro-3-(p-tolyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 9-chloro-3-(p-tolyl)-6-(2-thieny…

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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) 6.01 -0.89 -7.14 1 3 0 41 351.862 2 ↓

Analogs

6821904
6821904

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Popular Name: 9-fluoro-3-(p-tolyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 9-fluoro-3-(p-tolyl)-6-(2-thieny…

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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) 4.52 0 -7.4 1 3 0 41 335.407 2 ↓

Analogs

6190773
6190773
6190903
6190903
6821895
6821895
6844185
6844185
6844187
6844187

Draw Identity 99% 90% 80% 70%

Popular Name: 9-isopropyl-3-(p-tolyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 9-isopropyl-3-(p-tolyl)-6-(2-thi…

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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) 6.84 0.06 -8.38 1 3 0 41 359.498 3 ↓

Analogs

4168592
4168592
6844185
6844185
6844187
6844187

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Popular Name: 9-methyl-3-(4-tert-butylphenyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 9-methyl-3-(4-tert-butylphenyl)-…

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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) 7.04 0.42 -8.45 1 3 0 41 373.525 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 3-(4-bromophenyl)-6-(2-thienyl)-…

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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) 5.72 -1.82 -7.62 1 3 0 41 382.286 2 ↓

Analogs

6844178
6844178

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Popular Name: 3-(4-bromophenyl)-9-methyl-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 3-(4-bromophenyl)-9-methyl-6-(2-…

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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) 6.14 -1.5 -7.63 1 3 0 41 396.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-9-fluoro-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,7,9,11-pentaene 3-(4-bromophenyl)-9-fluoro-6-(2-…

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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) 4.88 -1.08 -6.39 1 3 0 41 400.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 3-(4-chlorophenyl)-6-(2-thienyl)…

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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) 5.59 -1.21 -7.77 1 3 0 41 337.835 2 ↓

Analogs

6844189
6844189

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Popular Name: 3-(4-chlorophenyl)-9-methyl-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 3-(4-chlorophenyl)-9-methyl-6-(2…

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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) 6.01 -0.88 -7.71 1 3 0 41 351.862 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-chloro-3-(4-chlorophenyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,7,9,11-pentaene 9-chloro-3-(4-chlorophenyl)-6-(2…

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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) 6.24 -1.35 -6.23 1 3 0 41 372.28 2 ↓

Analogs

6844190
6844190

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-9-methyl-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 3-(4-fluorophenyl)-9-methyl-6-(2…

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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) 5.50 0 -8 1 3 0 41 335.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-bromo-3-(4-fluorophenyl)-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,7,9,11-pentaene 9-bromo-3-(4-fluorophenyl)-6-(2-…

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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) 5.86 -1.08 -6.49 1 3 0 41 400.276 2 ↓

Analogs

6844185
6844185
6844187
6844187
4168552
4168552

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-isopropylphenyl)-9-methyl-6-(2-thienyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 3-(4-isopropylphenyl)-9-methyl-6…

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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) 6.84 0.06 -8.53 1 3 0 41 359.498 3 ↓

Parameters Provided:

ring.id = 246569
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 = 246569 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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