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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]-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) -0.03 5.3 -42.11 2 5 1 60 221.284 4 ↓
Lo Low (pH 4.5-6) -0.03 5.73 -85.89 3 5 2 62 222.292 4 ↓

Analogs

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Popular Name: N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]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) 0.35 6.42 -34.77 2 5 1 60 235.311 5 ↓
Lo Low (pH 4.5-6) 0.35 6.86 -84.56 3 5 2 62 236.319 5 ↓

Analogs

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Popular Name: N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]propan-1-amine 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) 0.85 7.17 -35.08 2 5 1 60 249.338 6 ↓
Lo Low (pH 4.5-6) 0.85 7.6 -85.69 3 5 2 62 250.346 6 ↓

Analogs

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Popular Name: N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]propan-2-amine 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) 0.65 6.69 -39.17 2 5 1 60 249.338 5 ↓
Lo Low (pH 4.5-6) 0.65 7.12 -84.4 3 5 2 62 250.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]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) -0.40 3.43 -47.51 3 5 1 72 207.257 3 ↓
Lo Low (pH 4.5-6) -0.40 3.86 -91.14 4 5 2 73 208.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5-methyl-2-furyl]methanamine [4-[(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) -0.18 4.27 -53.62 3 5 1 72 221.284 3 ↓
Lo Low (pH 4.5-6) -0.18 4.71 -91.65 4 5 2 73 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[(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) 0.20 6.14 -47.97 2 5 1 60 235.311 4 ↓
Lo Low (pH 4.5-6) 0.20 6.57 -86.54 3 5 2 62 236.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[(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) 0.57 6.95 -47.12 2 5 1 60 249.338 5 ↓
Lo Low (pH 4.5-6) 0.57 7.38 -86.32 3 5 2 62 250.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[(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) 1.07 7.7 -47.93 2 5 1 60 263.365 6 ↓
Lo Low (pH 4.5-6) 1.07 8.13 -87.7 3 5 2 62 264.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[(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) 0.87 7.51 -45.77 2 5 1 60 263.365 5 ↓
Lo Low (pH 4.5-6) 0.87 7.95 -85.59 3 5 2 62 264.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[4-[(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) 1.38 7.95 -43.66 2 5 1 60 277.392 5 ↓
Lo Low (pH 4.5-6) 1.38 8.37 -83.8 3 5 2 62 278.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[4-[(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) 1.32 8.45 -47.89 2 5 1 60 277.392 6 ↓
Lo Low (pH 4.5-6) 1.32 8.88 -87.97 3 5 2 62 278.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]-2-methyl-propan-1-amine 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) 1.10 7.61 -41.13 2 5 1 60 263.365 6 ↓
Lo Low (pH 4.5-6) 1.10 8.03 -86.88 3 5 2 62 264.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]-2-methyl-propan-2-amine 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) 1.16 7.1 -37.53 2 5 1 60 263.365 5 ↓
Lo Low (pH 4.5-6) 1.16 7.54 -82.61 3 5 2 62 264.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)-2-furyl]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) -0.20 5.64 -42.47 2 5 1 60 193.23 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(1,2,4-triazol-1-ylmethyl)-2-furyl]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) 0.18 6.5 -41.08 2 5 1 60 207.257 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(1,2,4-triazol-1-ylmethyl)-2-furyl]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) 0.68 7.25 -41.82 2 5 1 60 221.284 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(1,2,4-triazol-1-ylmethyl)-2-furyl]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) 0.47 7.03 -39.44 2 5 1 60 221.284 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(1,2,4-triazol-1-ylmethyl)-2-furyl]methanamine [3-(1,2,4-triazol-1-ylmethyl)-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) -0.58 3.77 -47.91 3 5 1 72 179.203 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-furyl]methanamine [5-methyl-4-(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) -0.35 4.63 -48.88 3 5 1 72 193.23 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-furyl]methanamine N-methyl-1-[5-methyl-4-(1,2,4-tr…

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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) 0.02 6.51 -43.49 2 5 1 60 207.257 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-furyl]methyl]ethanamine N-[[5-methyl-4-(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) 0.40 7.34 -42.76 2 5 1 60 221.284 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-(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) 0.90 8.1 -43.53 2 5 1 60 235.311 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-(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) 0.69 7.89 -40.87 2 5 1 60 235.311 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-methyl-4-(1,2,4-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) 1.21 8.3 -39.2 2 5 1 60 249.338 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-methyl-4-(1,2,4-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) 1.14 8.81 -43.62 2 5 1 60 249.338 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)-2-furyl]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) 0.92 7.94 -41.5 2 5 1 60 235.311 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)-2-furyl]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) 0.98 7.46 -37.91 2 5 1 60 235.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]furan-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) 0.09 8.73 -62.48 0 9 -1 130 237.151 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 260131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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