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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: 2-[(9-benzyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfanyl]-1-(4-nitrophenyl)-etha 2-[(9-benzyl-2,4,8,9-tetrazabicy…

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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) 3.51 0.84 -13.8 0 8 0 106 405.439 7 ↓

Analogs

1346341
1346341

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Popular Name: 1-(4-fluorophenyl)-2-[[9-(p-tolyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl]sulfanyl]e 1-(4-fluorophenyl)-2-[[9-(p-toly…

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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) 3.84 1.88 -12.07 0 5 0 60 378.432 5 ↓

Analogs

39546886
39546886

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Popular Name: N,N-diethyl-2-[[7-(p-tolyl)-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl]sulfanyl]acetami N,N-diethyl-2-[[7-(p-tolyl)-3,5,…

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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) 2.63 11.12 -12.68 0 6 0 64 355.467 6 ↓

Analogs

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Popular Name: 2-[(9-benzyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfanyl]-1-(4-fluorophenyl)-eth 2-[(9-benzyl-2,4,8,9-tetrazabicy…

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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) 3.71 1.05 -10.58 0 5 0 60 378.432 6 ↓

Analogs

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Popular Name: 7-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraene 7-benzyl-2-[(3-methoxyphenyl)met…

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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) 4.03 0.26 -8.86 0 5 0 52 362.458 6 ↓

Analogs

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

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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) 2.74 -3.42 -12.45 3 7 0 87 366.397 7 ↓

Analogs

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Popular Name: 2-[[4-(5-fluoro-2-methyl-phenyl)amino-7-methyl-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2- 2-[[4-(5-fluoro-2-methyl-phenyl)…

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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) 2.29 -2.72 -11.24 3 7 0 87 316.34 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) 2.29 -2.99 -13.18 3 9 0 114 356.386 8 ↓

Analogs

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Popular Name: 2-[benzyl-[5-(2-hydroxyethylamino)-9-methyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl]- 2-[benzyl-[5-(2-hydroxyethylamin…

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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) 1.16 -5.33 -14.06 3 8 0 99 342.403 8 ↓

Analogs

7449941
7449941

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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) 1.41 -4.82 -12.57 2 9 0 105 348.407 7 ↓

Analogs

7449930
7449930

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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) 1.41 -4.82 -12.69 2 9 0 105 348.407 7 ↓

Analogs

4374996
4374996

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Popular Name: 2-[ethyl-[2-(2-hydroxyethylamino)-7-methyl-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraen-4-yl]- 2-[ethyl-[2-(2-hydroxyethylamino…

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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) 0.14 -5.76 -12.14 3 8 0 99 280.332 7 ↓

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

7450293
7450293

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

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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) 1.19 -6.04 -9.83 2 7 0 79 276.344 4 ↓

Analogs

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Popular Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3, 3-[4-(3-chlorophenyl)piperazin-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) 4.42 -5.59 -8.12 0 7 0 53 411.941 3 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3- N-(2,2-dimethoxyethyl)-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) 1.76 -3.96 -9.31 1 8 0 77 320.397 6 ↓

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-cyclopentyl-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine N-cyclopentyl-9-methyl-5-(1-pipe…

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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) 3.22 -3.1 -7.15 1 6 0 58 300.41 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

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

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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) 4.74 -2.76 -6.46 1 6 0 58 366.513 3 ↓

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-[(2-chlorophenyl)methyl]-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetrae N-[(2-chlorophenyl)methyl]-9-met…

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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) 3.85 -3.18 -8.45 1 6 0 58 356.861 4 ↓

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: 9-methyl-N-phenethyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine 9-methyl-N-phenethyl-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) 3.62 -2.87 -8.59 1 6 0 58 336.443 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: 9-methyl-3-morpholino-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene 9-methyl-3-morpholino-5-(1-piper…

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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) 2.03 -4.78 -8.21 0 7 0 59 302.382 2 ↓

Analogs

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

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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) 2.92 -2.59 -9.15 1 7 0 68 324.388 3 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine N-(3-methoxyphenyl)-9-methyl-5-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) 2.50 -2.88 -9.99 1 8 0 77 340.387 4 ↓

Analogs

7450145
7450145

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Popular Name: 3-(2,6-dimethylmorpholin-4-yl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-te 3-(2,6-dimethylmorpholin-4-yl)-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) 2.75 -3.91 -7.7 0 7 0 59 330.436 2 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-ami 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) 3.30 -2.36 -9.22 1 7 0 68 338.415 3 ↓

Analogs

7450134
7450134

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Popular Name: 3-(2,6-dimethylmorpholin-4-yl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-te 3-(2,6-dimethylmorpholin-4-yl)-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) 2.75 -3.9 -7.58 0 7 0 59 330.436 2 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-ami 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) 3.30 -2.09 -9.17 1 7 0 68 338.415 3 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-am N-(2,5-dimethoxyphenyl)-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) 2.51 -2.65 -11.71 1 9 0 86 370.413 5 ↓

Analogs

7450252
7450252
21929591
21929591
4375012
4375012

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Popular Name: 9-methyl-3,5-bis(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene 9-methyl-3,5-bis(1-piperidyl)-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) 3.09 -3.62 -7.51 0 6 0 50 300.41 2 ↓

Analogs

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

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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) 3.28 -3.66 -8.38 1 7 0 68 389.257 3 ↓

Analogs

4272787
4272787

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Popular Name: N-(3,5-dimethylphenyl)-9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-ami 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) 3.30 -2.26 -9.27 1 7 0 68 338.415 3 ↓

Analogs

7450207
7450207

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Popular Name: 3-(3,5-dimethyl-1-piperidyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetr 3-(3,5-dimethyl-1-piperidyl)-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) 3.81 -2.47 -7.12 0 6 0 50 328.464 2 ↓

Analogs

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Popular Name: N-[4-(difluoromethylsulfanyl)phenyl]-9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7 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) 3.46 -2.24 -10.85 1 7 0 68 392.435 5 ↓

Analogs

7450193
7450193

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Popular Name: 3-(3,5-dimethyl-1-piperidyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetr 3-(3,5-dimethyl-1-piperidyl)-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) 3.81 -2.47 -7.11 0 6 0 50 328.464 2 ↓

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) 3.02 -1.8 -11.12 1 9 0 94 382.424 6 ↓

Analogs

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

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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) 3.33 -3.25 -7.11 0 6 0 50 314.437 2 ↓

Analogs

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

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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) 2.18 -1.14 -8.16 0 6 0 50 260.345 2 ↓

Analogs

7450169
7450169

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Popular Name: N,N-diethyl-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine N,N-diethyl-9-methyl-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) 2.93 -0.71 -7.92 0 6 0 50 288.399 4 ↓

Parameters Provided:

ring.id = 1523
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 = 1523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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