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

6556904
6556904

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Popular Name: 6-(5-methyl-2-furyl)-3-phenyl-2,4,5-triazabicyclo[5.4.0]undeca-2,5,7,9,11-pentaene 6-(5-methyl-2-furyl)-3-phenyl-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) 4.49 0.15 -9.76 1 4 0 54 301.349 2 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-6-(5-methyl-2-furyl)-2,4,5-triazabicyclo[5.4.0]undeca-2,5,7,9,11-pentaene 3-(4-bromophenyl)-6-(5-methyl-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) 5.30 -0.61 -8.32 1 4 0 54 380.245 2 ↓

Analogs

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

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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 -0.29 -8.25 1 4 0 54 394.272 2 ↓

Analogs

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

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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 0.32 -8.41 1 4 0 54 349.821 2 ↓

Analogs

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

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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) 5.82 -0.15 -6.97 1 4 0 54 370.239 2 ↓

Analogs

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

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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) 5.44 0.13 -7.19 1 4 0 54 398.235 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 5.31 0.74 -7.25 1 4 0 54 353.784 2 ↓

Parameters Provided:

ring.id = 246590
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 = 246590 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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