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

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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) 5.71 0.67 -7.3 1 3 0 41 329.378 2 ↓

Analogs

4168693
4168693

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

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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) 4.46 1.09 -6 1 3 0 41 333.341 2 ↓

Analogs

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Popular Name: 6-(4-fluorophenyl)-9-methoxy-3-(p-tolyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 6-(4-fluorophenyl)-9-methoxy-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) 5.77 0.69 -7.51 1 4 0 50 359.404 3 ↓

Analogs

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Popular Name: 9-fluoro-6-(4-fluorophenyl)-3-(p-tolyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 9-fluoro-6-(4-fluorophenyl)-3-(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) 4.90 1.41 -5.91 1 3 0 41 347.368 2 ↓

Analogs

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

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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) 6.52 -0.08 -6.13 1 3 0 41 408.274 2 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-6-(4-fluorophenyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 3-(4-chlorophenyl)-6-(4-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) 5.97 0.2 -6.4 1 3 0 41 349.796 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-6-(4-fluorophenyl)-9-methyl-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaene 3-(4-chlorophenyl)-6-(4-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) 6.39 0.53 -6.12 1 3 0 41 363.823 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-6-(4-fluorophenyl)-9-methoxy-2,4,5-triazabicyclo[5.4.0]undeca-2,5,8,10,12-pentaen 3-(4-chlorophenyl)-6-(4-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) 6.00 0.22 -6.64 1 4 0 50 379.822 3 ↓

Analogs

4129721
4129721

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

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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) 5.48 1.11 -6.92 1 4 0 50 363.367 3 ↓

Analogs

4129727
4129727

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

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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) 6.11 0.94 -5.29 1 3 0 41 367.786 2 ↓

Analogs

4129730
4129730
4168665
4168665

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

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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) 4.62 1.83 -5.64 1 3 0 41 351.331 2 ↓

Parameters Provided:

ring.id = 246606
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 = 246606 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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