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

8253326
8253326

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Popular Name: N-(5-bromo-2-methoxybenzyl)-N-(1-methyl-1H-tetraazol-5-yl)amine N-(5-bromo-2-methoxybenzyl)-N-(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) 1.69 0.4 -9.85 1 6 0 64 298.144 4 ↓

Analogs

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Popular Name: 1-butyl-N-[(2-methoxyphenyl)methyl]tetrazol-5-amine 1-butyl-N-[(2-methoxyphenyl)meth…

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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) 2.34 1.43 -9.16 1 6 0 64 261.329 7 ↓

Analogs

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Popular Name: N-(3-bromobenzyl)-N-(2H-tetraazol-5-yl)amine N-(3-bromobenzyl)-N-(2H-tetraazo…

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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) 1.61 4.93 -37.66 1 5 -1 65 253.083 3 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-1H-tetrazol-5-amine N-[(3,4-dimethoxyphenyl)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) 0.47 3.55 -40.04 1 7 -1 83 234.239 5 ↓
Mid Mid (pH 6-8) 0.47 3.47 -8.88 2 7 0 85 235.247 5 ↓

Analogs

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Popular Name: 3-[[(1-methyltetrazol-5-yl)amino]methyl]benzoic 3-[[(1-methyltetrazol-5-yl)amino…

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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) 0.78 6.2 -52.6 1 7 -1 96 232.223 4 ↓

Analogs

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Popular Name: 4-[[methyl-(1-methyltetrazol-5-yl)amino]methyl]benzoic 4-[[methyl-(1-methyltetrazol-5-y…

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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) 1.05 7.53 -60.93 0 7 -1 87 246.25 4 ↓

Analogs

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Popular Name: methyl 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) 0.94 6.53 -12.59 1 7 0 82 247.258 5 ↓

Analogs

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Popular Name: methyl 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) 0.94 6.54 -12.57 1 7 0 82 247.258 5 ↓

Analogs

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Popular Name: (2S)-2-[(1-methyltetrazol-5-yl)amino]-2-phenyl-acetic (2S)-2-[(1-methyltetrazol-5-yl)a…

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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) 0.32 6.46 -52.32 1 7 -1 96 232.223 4 ↓

Analogs

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Popular Name: (2R)-2-[(1-methyltetrazol-5-yl)amino]-2-phenyl-acetic (2R)-2-[(1-methyltetrazol-5-yl)a…

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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) 0.32 6.52 -52.05 1 7 -1 96 232.223 4 ↓

Analogs

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Popular Name: (2R)-2-[(1-methyltetrazol-5-yl)amino]-2-phenyl-propanoic (2R)-2-[(1-methyltetrazol-5-yl)a…

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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) 0.77 6.26 -53.96 1 7 -1 96 246.25 4 ↓

Analogs

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Popular Name: (2S)-2-[(1-methyltetrazol-5-yl)amino]-2-phenyl-propanoic (2S)-2-[(1-methyltetrazol-5-yl)a…

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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) 0.77 6.28 -53.82 1 7 -1 96 246.25 4 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethyl-tetrazol-5-amine N-[[3-(aminomethyl)phenyl]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) 0.30 4.99 -55.67 3 6 1 74 233.299 4 ↓
Hi High (pH 8-9.5) 0.30 4.58 -11.55 2 6 0 73 232.291 4 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)phenyl]methyl]-1-methyl-tetrazol-5-amine N-[[3-(aminomethyl)phenyl]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) 0.06 3.67 -56.11 4 6 1 83 219.272 4 ↓
Hi High (pH 8-9.5) 0.06 3.27 -9.21 3 6 0 82 218.264 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[4-(aminomethyl)phenyl]ethyl]-1-methyl-tetrazol-5-amine N-[(1S)-1-[4-(aminomethyl)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) 0.64 4.47 -55.5 4 6 1 83 233.299 4 ↓
Hi High (pH 8-9.5) 0.64 4.07 -9.58 3 6 0 82 232.291 4 ↓

Analogs

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Popular Name: N-[(1R)-1-[4-(aminomethyl)phenyl]ethyl]-1-methyl-tetrazol-5-amine N-[(1R)-1-[4-(aminomethyl)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) 0.64 4.46 -55.39 4 6 1 83 233.299 4 ↓
Hi High (pH 8-9.5) 0.64 4.06 -9.61 3 6 0 82 232.291 4 ↓

Analogs

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Popular Name: N-[[4-(aminomethyl)phenyl]methyl]-1-methyl-tetrazol-5-amine N-[[4-(aminomethyl)phenyl]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) 0.08 3.68 -55.89 4 6 1 83 219.272 4 ↓
Hi High (pH 8-9.5) 0.08 3.28 -9.21 3 6 0 82 218.264 4 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyl-tetrazol-5-amine N-[[2-(aminomethyl)phenyl]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) 0.65 6.11 -61.71 3 6 1 74 247.326 5 ↓
Hi High (pH 8-9.5) 0.65 5.72 -8.77 2 6 0 73 246.318 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-N,1-dimethyl-tetrazol-5-amine N-[[2-(aminomethyl)phenyl]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) 0.28 5.22 -52.62 3 6 1 74 233.299 4 ↓
Hi High (pH 8-9.5) 0.28 4.86 -11.69 2 6 0 73 232.291 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(aminomethyl)phenyl]methyl]-N,1-dimethyl-tetrazol-5-amine N-[[4-(aminomethyl)phenyl]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) 0.32 5 -48.7 3 6 1 74 233.299 4 ↓
Hi High (pH 8-9.5) 0.32 4.59 -11.93 2 6 0 73 232.291 4 ↓

Analogs

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Popular Name: N-benzyl-N-(1-methyltetrazol-5-yl)ethane-1,2-diamine N-benzyl-N-(1-methyltetrazol-5-y…

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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) -0.06 5.07 -63.55 3 6 1 74 233.299 5 ↓
Hi High (pH 8-9.5) -0.06 4.76 -9.97 2 6 0 73 232.291 5 ↓

Analogs

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Popular Name: 3-[[methyl-(1-methyltetrazol-5-yl)amino]methyl]benzonitrile 3-[[methyl-(1-methyltetrazol-5-y…

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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) 0.87 7.34 -12.65 0 6 0 71 228.259 3 ↓

Analogs

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Popular Name: 3-[[methyl-(1-methyltetrazol-5-yl)amino]methyl]benzenecarbothioamide 3-[[methyl-(1-methyltetrazol-5-y…

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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) 0.92 6.17 -17.35 2 6 0 73 262.342 4 ↓

Analogs

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Popular Name: N'-hydroxy-3-[[methyl-(1-methyltetrazol-5-yl)amino]methyl]benzamidine N'-hydroxy-3-[[methyl-(1-methylt…

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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) -0.57 3.84 -12.78 3 8 0 105 261.289 4 ↓
Lo Low (pH 4.5-6) -0.57 3.67 -41.57 4 8 1 107 262.297 4 ↓

Analogs

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Popular Name: 3-[[methyl-(1-methyltetrazol-5-yl)amino]methyl]benzamidine 3-[[methyl-(1-methyltetrazol-5-y…

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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) -0.50 4.7 -43.33 4 7 1 98 246.298 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1S)-1-(2,4-dichlorophenyl)et…

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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 7.4 -11.01 1 5 0 56 272.139 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1R)-1-(2,4-dichlorophenyl)et…

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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 7.38 -11 1 5 0 56 272.139 3 ↓

Analogs

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Popular Name: 1-methyl-N-[(1S)-1-phenylethyl]tetrazol-5-amine 1-methyl-N-[(1S)-1-phenylethyl]t…

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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) 1.45 6.43 -9.36 1 5 0 56 203.249 3 ↓

Analogs

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Popular Name: 1-methyl-N-[(1R)-1-phenylethyl]tetrazol-5-amine 1-methyl-N-[(1R)-1-phenylethyl]t…

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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) 1.45 6.42 -9.41 1 5 0 56 203.249 3 ↓

Analogs

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Popular Name: 4-[[(1-methyltetrazol-5-yl)amino]methyl]benzenesulfonamide 4-[[(1-methyltetrazol-5-yl)amino…

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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) -0.41 0.61 -17.76 3 8 0 116 268.302 4 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-1-methyl-tetrazol-5-amine N-[(3-fluorophenyl)methyl]-1-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) 1.03 5.71 -10.12 1 5 0 56 207.212 3 ↓

Analogs

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Popular Name: 1-methyl-N-(m-tolylmethyl)tetrazol-5-amine 1-methyl-N-(m-tolylmethyl)tetraz…

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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) 1.32 6.3 -8.81 1 5 0 56 203.249 3 ↓

Analogs

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Popular Name: 4-[[(1-methyltetrazol-5-yl)amino]methyl]benzonitrile 4-[[(1-methyltetrazol-5-yl)amino…

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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) 0.65 6.04 -13.18 1 6 0 79 214.232 3 ↓

Analogs

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Popular Name: 3-[[(1-methyltetrazol-5-yl)amino]methyl]benzonitrile 3-[[(1-methyltetrazol-5-yl)amino…

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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) 0.63 6.03 -13.5 1 6 0 79 214.232 3 ↓

Analogs

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Popular Name: 4-[(1S)-1-[(1-methyltetrazol-5-yl)amino]ethyl]benzonitrile 4-[(1S)-1-[(1-methyltetrazol-5-y…

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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) 1.21 6.81 -13.62 1 6 0 79 228.259 3 ↓

Analogs

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Popular Name: 4-[(1R)-1-[(1-methyltetrazol-5-yl)amino]ethyl]benzonitrile 4-[(1R)-1-[(1-methyltetrazol-5-y…

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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) 1.21 6.81 -13.65 1 6 0 79 228.259 3 ↓

Analogs

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Popular Name: N-[[2-(ethoxymethyl)phenyl]methyl]-1-methyl-tetrazol-5-amine N-[[2-(ethoxymethyl)phenyl]methy…

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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) 1.18 6.46 -9.22 1 6 0 65 247.302 6 ↓

Analogs

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Popular Name: N-[[2-(methoxymethyl)phenyl]methyl]-1-methyl-tetrazol-5-amine N-[[2-(methoxymethyl)phenyl]meth…

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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) 0.80 5.48 -9.4 1 6 0 65 233.275 5 ↓

Analogs

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Popular Name: N-[3-[(1S)-1-[(1-methyltetrazol-5-yl)amino]ethyl]phenyl]acetamide N-[3-[(1S)-1-[(1-methyltetrazol-…

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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) 0.65 5.31 -15.41 2 7 0 85 260.301 4 ↓

Analogs

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Popular Name: N-[3-[(1R)-1-[(1-methyltetrazol-5-yl)amino]ethyl]phenyl]acetamide N-[3-[(1R)-1-[(1-methyltetrazol-…

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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) 0.65 5.3 -15.24 2 7 0 85 260.301 4 ↓

Analogs

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Popular Name: N-[[3-(methoxymethyl)phenyl]methyl]-1-methyl-tetrazol-5-amine N-[[3-(methoxymethyl)phenyl]meth…

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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) 0.82 5.37 -9.79 1 6 0 65 233.275 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1S)-1-(3-bromophenyl)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) 2.24 7.04 -10.56 1 5 0 56 282.145 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1R)-1-(3-bromophenyl)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) 2.24 7.03 -10.59 1 5 0 56 282.145 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-ethylphenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1R)-1-(4-ethylphenyl)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) 2.37 7.87 -9.22 1 5 0 56 231.303 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1S)-1-(4-ethylphenyl)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) 2.37 7.87 -9.16 1 5 0 56 231.303 4 ↓

Analogs

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Popular Name: N-[(2-bromo-5-fluoro-phenyl)methyl]-1-methyl-tetrazol-5-amine N-[(2-bromo-5-fluoro-phenyl)meth…

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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) 1.80 6.21 -9.14 1 5 0 56 286.108 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1S)-1-(3-chlorophenyl)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) 2.11 6.94 -10.57 1 5 0 56 237.694 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1R)-1-(3-chlorophenyl)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) 2.11 6.93 -10.62 1 5 0 56 237.694 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1S)-1-(3,4-dimethoxyphenyl)e…

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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) 1.10 5.63 -13.52 1 7 0 74 263.301 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-methyl-tetrazol-5-amine N-[(1R)-1-(3,4-dimethoxyphenyl)e…

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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) 1.10 5.63 -13.58 1 7 0 74 263.301 5 ↓

Parameters Provided:

ring.id = 4280
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 = 4280 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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