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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-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-3-phenylpropanoic acid 2-(5-methyl-1H-1,2,3,4-tetrazol-…

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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) 0.44 6.3 -46.78 0 6 -1 84 231.235 4 ↓

Analogs

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Popular Name: 2-(1-phenethyltetrazol-5-yl)acetic 2-(1-phenethyltetrazol-5-yl)acetic

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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 6.23 -44.74 0 6 -1 84 231.235 5 ↓

Analogs

25462283
25462283

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Popular Name: (2R)-N-isopropyl-3-phenyl-2-(tetrazol-1-yl)propanamide (2R)-N-isopropyl-3-phenyl-2-(tet…

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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) 0.89 5.71 -9.37 1 6 0 73 259.313 5 ↓

Analogs

25462279
25462279

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Popular Name: (2S)-N-isopropyl-3-phenyl-2-(tetrazol-1-yl)propanamide (2S)-N-isopropyl-3-phenyl-2-(tet…

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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) 0.89 5.7 -9.37 1 6 0 73 259.313 5 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(4-methoxy…

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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) 1.86 5.68 -11.55 0 5 0 53 252.705 5 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(3,4-dimet…

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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 5.57 -14.04 0 6 0 62 282.731 6 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(4-fluorop…

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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) 1.97 6.44 -11.64 0 4 0 44 240.669 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(2-fluorop…

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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) 1.92 6.41 -12.09 0 4 0 44 240.669 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[2-(2,4-dichlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(2,4-dichl…

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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 7.26 -8.42 0 4 0 44 291.569 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-phenethyl-tetrazole 5-(chloromethyl)-1-phenethyl-tet…

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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 6.38 -9.98 0 4 0 44 222.679 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[2-(3-fluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(3-fluorop…

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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) 1.94 6.44 -10.74 0 4 0 44 240.669 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[2-(m-tolyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(m-tolyl)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) 2.23 7.04 -9.92 0 4 0 44 236.706 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[2-(3,5-difluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(3,5-diflu…

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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) 2.06 6.51 -11.49 0 4 0 44 258.659 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[2-(4-nitrophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(4-nitroph…

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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 7.09 -16.32 0 7 0 89 267.676 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[2-(4-chlorop…

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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) 2.48 6.9 -10.88 0 4 0 44 257.124 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-(4-methoxyphenyl)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) 1.97 6.68 -59.02 2 6 1 69 290.391 8 ↓
Hi High (pH 8-9.5) 1.97 5.47 -10.26 1 6 0 65 289.383 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[2-(4-methoxyphe…

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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) 0.83 4.37 -60.23 2 7 1 79 292.363 9 ↓
Mid Mid (pH 6-8) 0.83 3.03 -12.39 1 7 0 74 291.355 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methanamine [1-[2-(4-methoxyphenyl)ethyl]tet…

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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 2.55 -65.53 3 6 1 80 234.283 5 ↓
Hi High (pH 8-9.5) 0.47 2.16 -12.81 2 6 0 79 233.275 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[2-(4-methoxyphenyl)ethyl]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) 0.84 4.38 -58.95 2 6 1 69 248.31 6 ↓
Hi High (pH 8-9.5) 0.84 2.95 -10.55 1 6 0 65 247.302 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[2-(4-methoxyphenyl)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) 1.22 5.24 -58.24 2 6 1 69 262.337 7 ↓
Hi High (pH 8-9.5) 1.22 3.88 -10.48 1 6 0 65 261.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[2-(4-methoxyphenyl)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) 1.72 5.99 -59.2 2 6 1 69 276.364 8 ↓
Hi High (pH 8-9.5) 1.72 4.64 -10.39 1 6 0 65 275.356 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[2-(4-methoxyphenyl)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) 1.52 5.77 -55.2 2 6 1 69 276.364 7 ↓
Hi High (pH 8-9.5) 1.52 4.55 -10.13 1 6 0 65 275.356 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(4-methoxyphenyl)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) 2.03 6.19 -53.06 2 6 1 69 290.391 7 ↓
Hi High (pH 8-9.5) 2.03 4.97 -10.01 1 6 0 65 289.383 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methanamine [1-[2-(3,4-dimethoxyphenyl)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) 0.06 2.45 -69.72 3 7 1 90 264.309 6 ↓
Hi High (pH 8-9.5) 0.06 2.07 -15.4 2 7 0 88 263.301 6 ↓

Analogs

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Popular Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[2-(3,4-dimethoxyphenyl)eth…

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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) 0.43 4.27 -61.62 2 7 1 79 278.336 7 ↓
Hi High (pH 8-9.5) 0.43 2.84 -12.84 1 7 0 74 277.328 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[2-(3,4-dimethoxyphenyl)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) 0.81 5.13 -60.88 2 7 1 79 292.363 8 ↓
Hi High (pH 8-9.5) 0.81 3.78 -12.73 1 7 0 74 291.355 8 ↓

Analogs

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Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-(4-fluorophenyl)ethyl]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) 2.07 7.45 -60.68 2 5 1 60 278.355 7 ↓
Hi High (pH 8-9.5) 2.07 6.09 -10.12 1 5 0 56 277.347 7 ↓

Analogs

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Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[2-(4-fluorophenyl)ethyl]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) 0.93 5.14 -61.1 2 6 1 69 280.327 8 ↓
Mid Mid (pH 6-8) 0.93 3.8 -12.29 1 6 0 65 279.319 8 ↓

Analogs

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Popular Name: [1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine [1-[2-(4-fluorophenyl)ethyl]tetr…

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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 3.32 -68.14 3 5 1 71 222.247 4 ↓
Hi High (pH 8-9.5) 0.57 2.87 -10.76 2 5 0 70 221.239 4 ↓

Analogs

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Popular Name: 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[2-(4-fluorophenyl)ethyl]te…

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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) 0.95 5.14 -59.77 2 5 1 60 236.274 5 ↓
Hi High (pH 8-9.5) 0.95 3.71 -10.37 1 5 0 56 235.266 5 ↓

Analogs

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Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[2-(4-fluorophenyl)ethyl]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) 1.33 6 -59.15 2 5 1 60 250.301 6 ↓
Hi High (pH 8-9.5) 1.33 4.65 -10.23 1 5 0 56 249.293 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[2-(4-fluorophenyl)ethyl]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) 1.83 6.76 -60.13 2 5 1 60 264.328 7 ↓
Hi High (pH 8-9.5) 1.83 5.41 -10.15 1 5 0 56 263.32 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[2-(4-fluorophenyl)ethyl]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) 1.62 6.54 -57.31 2 5 1 60 264.328 6 ↓
Hi High (pH 8-9.5) 1.62 5.32 -9.9 1 5 0 56 263.32 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(4-fluorophenyl)ethyl]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) 2.13 6.96 -54 2 5 1 60 278.355 6 ↓
Hi High (pH 8-9.5) 2.13 5.74 -9.74 1 5 0 56 277.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-(2-fluorophenyl)ethyl]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) 2.02 7.41 -47.66 2 5 1 60 278.355 7 ↓
Hi High (pH 8-9.5) 2.02 6.21 -7.17 1 5 0 56 277.347 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[2-(2-fluorophenyl)ethyl]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) 0.89 5.1 -48.26 2 6 1 69 280.327 8 ↓
Mid Mid (pH 6-8) 0.89 3.77 -8.93 1 6 0 65 279.319 8 ↓

Analogs

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Popular Name: [1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methanamine [1-[2-(2-fluorophenyl)ethyl]tetr…

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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) 0.53 3.28 -67.76 3 5 1 71 222.247 4 ↓
Hi High (pH 8-9.5) 0.53 2.91 -13.75 2 5 0 70 221.239 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[2-(2-fluorophenyl)ethyl]te…

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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) 0.90 5.11 -48.23 2 5 1 60 236.274 5 ↓
Hi High (pH 8-9.5) 0.90 3.68 -7.61 1 5 0 56 235.266 5 ↓

Analogs

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Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[2-(2-fluorophenyl)ethyl]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) 1.28 5.97 -47.1 2 5 1 60 250.301 6 ↓
Hi High (pH 8-9.5) 1.28 4.61 -7.41 1 5 0 56 249.293 6 ↓

Analogs

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Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[2-(2-fluorophenyl)ethyl]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) 1.78 6.72 -47.93 2 5 1 60 264.328 7 ↓
Hi High (pH 8-9.5) 1.78 5.38 -7.29 1 5 0 56 263.32 7 ↓

Analogs

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Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[2-(2-fluorophenyl)ethyl]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) 1.57 6.5 -45.14 2 5 1 60 264.328 6 ↓
Hi High (pH 8-9.5) 1.57 5.31 -7.23 1 5 0 56 263.32 6 ↓

Analogs

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Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(2-fluorophenyl)ethyl]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) 2.09 6.93 -42.41 2 5 1 60 278.355 6 ↓
Hi High (pH 8-9.5) 2.09 5.7 -7 1 5 0 56 277.347 6 ↓

Analogs

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

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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) 3.19 8.25 -47.63 2 5 1 60 329.255 7 ↓
Hi High (pH 8-9.5) 3.19 6.89 -6.79 1 5 0 56 328.247 7 ↓

Analogs

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Popular Name: N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[2-(2,4-dichlorophenyl)eth…

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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) 2.06 5.94 -47.76 2 6 1 69 331.227 8 ↓
Mid Mid (pH 6-8) 2.06 4.6 -8.46 1 6 0 65 330.219 8 ↓

Analogs

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Popular Name: [1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methanamine [1-[2-(2,4-dichlorophenyl)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) 1.70 4.13 -53.43 3 5 1 71 273.147 4 ↓
Hi High (pH 8-9.5) 1.70 3.68 -7.85 2 5 0 70 272.139 4 ↓

Analogs

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Popular Name: 1-[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[2-(2,4-dichlorophenyl)ethy…

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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) 2.07 5.94 -48.4 2 5 1 60 287.174 5 ↓
Hi High (pH 8-9.5) 2.07 4.51 -7.19 1 5 0 56 286.166 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[2-(2,4-dichlorophenyl)eth…

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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) 2.45 6.8 -47.04 2 5 1 60 301.201 6 ↓
Hi High (pH 8-9.5) 2.45 5.44 -6.99 1 5 0 56 300.193 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.95 7.55 -47.83 2 5 1 60 315.228 7 ↓
Hi High (pH 8-9.5) 2.95 6.21 -6.86 1 5 0 56 314.22 7 ↓

Analogs

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

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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 7.16 -44.98 2 5 1 60 315.228 6 ↓
Hi High (pH 8-9.5) 2.74 5.95 -6.78 1 5 0 56 314.22 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.26 7.59 -42.71 2 5 1 60 329.255 6 ↓
Hi High (pH 8-9.5) 3.26 6.39 -6.63 1 5 0 56 328.247 6 ↓

Parameters Provided:

ring.id = 104153
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 = 104153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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