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Analogs

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Popular Name: N-(3-chlorophenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amin N-(3-chlorophenyl)-9-methyl-5-(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) 4.19 -1.91 -7.07 1 6 0 58 342.834 3 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amin N-(4-chlorophenyl)-9-methyl-5-(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) 4.21 -1.91 -7.26 1 6 0 58 342.834 3 ↓

Analogs

7450086
7450086

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Popular Name: 9-methyl-N-(m-tolyl)-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine 9-methyl-N-(m-tolyl)-5-(1-piperi…

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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) 3.96 -1.44 -7.98 1 6 0 58 322.416 3 ↓

Analogs

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Popular Name: 9-methyl-5-(1-piperidyl)-N-(p-tolyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine 9-methyl-5-(1-piperidyl)-N-(p-to…

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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) 3.98 -1.44 -7.99 1 6 0 58 322.416 3 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3- N-(3,4-dimethylphenyl)-9-methyl-…

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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) 4.36 -1.21 -8.18 1 6 0 58 336.443 3 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3- N-(2,4-dimethylphenyl)-9-methyl-…

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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) 4.36 -0.81 -7.97 1 6 0 58 336.443 3 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tet N-(3-chloro-4-methoxy-phenyl)-9-…

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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) 4.20 -1.85 -8.47 1 7 0 68 372.86 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetr N-(3-chloro-4-methyl-phenyl)-9-m…

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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) 4.59 -1.6 -7.13 1 6 0 58 356.861 3 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine N-(4-bromophenyl)-9-methyl-5-(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) 4.34 -2.52 -7.22 1 6 0 58 387.285 3 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amin N-(4-ethoxyphenyl)-9-methyl-5-(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) 3.96 -1.74 -8.53 1 7 0 68 352.442 5 ↓

Analogs

7449981
7449981

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Popular Name: N-(3,5-dimethylphenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3- N-(3,5-dimethylphenyl)-9-methyl-…

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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) 4.36 -1.12 -8.09 1 6 0 58 336.443 3 ↓

Analogs

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Popular Name: N-[4-(difluoromethylsulfanyl)phenyl]-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3, N-[4-(difluoromethylsulfanyl)phe…

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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 -1.09 -9.75 1 6 0 58 390.463 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.08 -0.66 -9.88 1 8 0 85 380.452 6 ↓

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetr N-(4-chloro-2-methyl-phenyl)-9-m…

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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) 4.59 -1.41 -7.16 1 6 0 58 356.861 3 ↓

Analogs

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Popular Name: N-(3,4-difluorophenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3- N-(3,4-difluorophenyl)-9-methyl-…

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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) 3.79 -0.29 -7.71 1 6 0 58 344.369 3 ↓

Analogs

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Popular Name: N-(3,4-dichlorophenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3- N-(3,4-dichlorophenyl)-9-methyl-…

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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) 4.82 -2.05 -6.76 1 6 0 58 377.279 3 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3- N-(2,4-difluorophenyl)-9-methyl-…

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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) 3.79 -0.13 -6.57 1 6 0 58 344.369 3 ↓

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetr N-(5-fluoro-2-methyl-phenyl)-9-m…

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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) 4.07 -0.39 -9.05 1 6 0 58 340.406 3 ↓

Parameters Provided:

ring.id = 5359
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 = 5359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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