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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: 1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(3,5-dimethyl-1,2,4-triazo…

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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 8.4 -43.3 2 4 1 47 287.412 4 ↓
Hi High (pH 8-9.5) 1.92 6.94 -10.39 1 4 0 43 286.404 4 ↓
Lo Low (pH 4.5-6) 1.92 8.82 -91.09 3 4 2 49 288.42 4 ↓

Analogs

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Popular Name: N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[3-[(3,5-dimethyl-1,2,4-triaz…

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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) 2.30 9.61 -35.8 2 4 1 47 301.439 5 ↓
Hi High (pH 8-9.5) 2.30 8.12 -9.2 1 4 0 43 300.431 5 ↓
Lo Low (pH 4.5-6) 2.30 10.04 -89.47 3 4 2 49 302.447 5 ↓

Analogs

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Popular Name: [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methanamine [3-[(3,5-dimethyl-1,2,4-triazol-…

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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) 1.66 6.51 -48.22 3 4 1 58 291.375 3 ↓
Hi High (pH 8-9.5) 1.66 6.13 -8.75 2 4 0 57 290.367 3 ↓
Lo Low (pH 4.5-6) 1.66 6.94 -91.97 4 4 2 60 292.383 3 ↓

Analogs

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Popular Name: [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(3,5-dimethyl-1,2,4-triazol-…

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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) 1.55 6.52 -48.99 3 4 1 58 273.385 3 ↓
Hi High (pH 8-9.5) 1.55 6.13 -10.65 2 4 0 57 272.377 3 ↓
Lo Low (pH 4.5-6) 1.55 6.95 -96.9 4 4 2 60 274.393 3 ↓

Analogs

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Popular Name: 1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(3,5-dimethyl-1,2,4-triazo…

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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) 2.04 8.38 -42.48 2 4 1 47 305.402 4 ↓
Hi High (pH 8-9.5) 2.04 6.94 -8.62 1 4 0 43 304.394 4 ↓
Lo Low (pH 4.5-6) 2.04 8.81 -86.13 3 4 2 49 306.41 4 ↓

Analogs

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Popular Name: N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methanamine N-methyl-1-[3-(1,2,4-triazol-1-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) 1.75 8.87 -45.32 2 4 1 47 259.358 4 ↓
Hi High (pH 8-9.5) 1.75 7.43 -8.98 1 4 0 43 258.35 4 ↓

Analogs

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Popular Name: N-[[3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methyl]ethanamine N-[[3-(1,2,4-triazol-1-ylmethyl)…

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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) 2.12 9.74 -43.86 2 4 1 47 273.385 5 ↓
Hi High (pH 8-9.5) 2.12 8.36 -8.68 1 4 0 43 272.377 5 ↓

Analogs

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Popular Name: N-[[3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-1-amine N-[[3-(1,2,4-triazol-1-ylmethyl)…

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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 10.5 -44.64 2 4 1 47 287.412 6 ↓
Hi High (pH 8-9.5) 2.63 9.13 -8.62 1 4 0 43 286.404 6 ↓

Analogs

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Popular Name: N-[[3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-2-amine N-[[3-(1,2,4-triazol-1-ylmethyl)…

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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) 2.42 10.28 -41.96 2 4 1 47 287.412 5 ↓
Hi High (pH 8-9.5) 2.42 9.05 -8.55 1 4 0 43 286.404 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-2-amine 2-methyl-N-[[3-(1,2,4-triazol-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) 2.93 10.7 -40.31 2 4 1 47 301.439 5 ↓
Hi High (pH 8-9.5) 2.93 9.45 -8.38 1 4 0 43 300.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-1-amine 2-methyl-N-[[3-(1,2,4-triazol-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) 2.87 11.19 -44.4 2 4 1 47 301.439 6 ↓
Hi High (pH 8-9.5) 2.87 9.81 -8.45 1 4 0 43 300.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methanamine [4-fluoro-3-(1,2,4-triazol-1-ylm…

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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) 1.49 6.74 -55.63 3 4 1 58 263.321 3 ↓
Hi High (pH 8-9.5) 1.49 6.38 -11.07 2 4 0 57 262.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methanamine [3-(1,2,4-triazol-1-ylmethyl)ben…

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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) 1.37 6.74 -54.26 3 4 1 58 245.331 3 ↓
Hi High (pH 8-9.5) 1.37 6.38 -10.56 2 4 0 57 244.323 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]-N-methyl-methanamine 1-[4-fluoro-3-(1,2,4-triazol-1-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) 1.86 8.87 -44.29 2 4 1 47 277.348 4 ↓
Hi High (pH 8-9.5) 1.86 7.43 -7.62 1 4 0 43 276.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methyl]ethanamine N-[[4-fluoro-3-(1,2,4-triazol-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) 2.24 9.74 -42.9 2 4 1 47 291.375 5 ↓
Hi High (pH 8-9.5) 2.24 8.36 -7.33 1 4 0 43 290.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-1-amine N-[[4-fluoro-3-(1,2,4-triazol-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) 2.74 10.49 -43.7 2 4 1 47 305.402 6 ↓
Hi High (pH 8-9.5) 2.74 9.13 -7.19 1 4 0 43 304.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-2-amine N-[[4-fluoro-3-(1,2,4-triazol-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) 2.54 10.27 -41.07 2 4 1 47 305.402 5 ↓
Hi High (pH 8-9.5) 2.54 9.04 -7.19 1 4 0 43 304.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,2,4-triazol-1-ylmethyl)benzothiophene-2-carboxylic 3-(1,2,4-triazol-1-ylmethyl)benz…

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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 9.41 -46.52 0 5 -1 71 258.282 3 ↓

Analogs

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Popular Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzothiophene-2-carboxylic 3-[(3-nitro-1,2,4-triazol-1-yl)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) 2.04 11.75 -42.87 0 8 -1 117 303.279 4 ↓

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