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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-furyl)-N-(3-thienylmethyl)methanamine 1-(3-furyl)-N-(3-thienylmethyl)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) 1.43 5.14 -41.5 2 2 1 30 194.279 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) 2.06 6.51 -36.41 2 4 1 56 266.342 6 ↓
Hi High (pH 8-9.5) 2.06 5.26 -7.19 1 4 0 51 265.334 6 ↓

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) 2.06 6.49 -36.92 2 4 1 56 266.342 6 ↓
Hi High (pH 8-9.5) 2.06 5.31 -8.62 1 4 0 51 265.334 6 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methanamine N-methyl-1-[3-[[methyl(3-thienyl…

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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) 1.47 7.06 -110.4 3 3 2 34 252.383 6 ↓
Hi High (pH 8-9.5) 1.47 4.7 -40.87 2 3 1 33 251.375 6 ↓

Analogs

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Popular Name: N-[[3-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[methyl(3-thienylmethyl)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) 1.85 7.92 -110.81 3 3 2 34 266.41 7 ↓
Hi High (pH 8-9.5) 1.85 5.56 -39.73 2 3 1 33 265.402 7 ↓

Analogs

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Popular Name: N-[[3-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[methyl(3-thienylmethyl)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) 2.35 8.67 -112.7 3 3 2 34 280.437 8 ↓
Hi High (pH 8-9.5) 2.35 6.31 -40.5 2 3 1 33 279.429 8 ↓

Analogs

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Popular Name: N-[[3-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[methyl(3-thienylmethyl)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) 2.15 8.44 -110.28 3 3 2 34 280.437 7 ↓
Hi High (pH 8-9.5) 2.15 6.08 -38.18 2 3 1 33 279.429 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)-3-furyl]methyl]-N-methyl-1-(3-thienyl)methanamine N-[[2-(aminomethyl)-3-furyl]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) 1.10 5.29 -116.72 4 3 2 45 238.356 5 ↓
Hi High (pH 8-9.5) 1.10 3.36 -43.6 3 3 1 44 237.348 5 ↓

Analogs

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Popular Name: [5-methyl-4-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methanamine [5-methyl-4-[[methyl(3-thienylme…

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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 6.04 -99.12 4 3 2 45 252.383 5 ↓

Analogs

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Popular Name: N-methyl-1-[5-methyl-4-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methanamine N-methyl-1-[5-methyl-4-[[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) 1.69 7.91 -94.32 3 3 2 34 266.41 6 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[5-methyl-4-[[methyl(3-thieny…

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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 8.76 -94.16 3 3 2 34 280.437 7 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-[[methyl(3-thieny…

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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) 2.57 9.51 -95.68 3 3 2 34 294.464 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-[[methyl(3-thieny…

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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 9.29 -93.61 3 3 2 34 294.464 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-methyl-4-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-methyl-4-[[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) 2.88 9.7 -92.14 3 3 2 34 308.491 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-methyl-4-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-methyl-4-[[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) 2.82 10.22 -96.3 3 3 2 34 308.491 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-[[methyl(3-thieny…

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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) 2.59 9.36 -114.1 3 3 2 34 294.464 8 ↓
Hi High (pH 8-9.5) 2.59 7.02 -40.23 2 3 1 33 293.456 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-[[methyl(3-thienylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-[[methyl(3-thieny…

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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) 2.66 8.87 -107.86 3 3 2 34 294.464 7 ↓
Hi High (pH 8-9.5) 2.66 6.52 -36.18 2 3 1 33 293.456 7 ↓

Analogs

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Popular Name: 1-[3-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-2-furyl]-N-methyl-methanamine 1-[3-[[(5-bromo-3-thienyl)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) 2.40 7.93 -117.04 3 3 2 34 331.279 6 ↓
Hi High (pH 8-9.5) 2.40 5.43 -42.18 2 3 1 33 330.271 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[(5-bromo-3-thienyl)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) 2.78 8.79 -116.98 3 3 2 34 345.306 7 ↓
Hi High (pH 8-9.5) 2.78 6.29 -40.92 2 3 1 33 344.298 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[(5-bromo-3-thienyl)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) 3.28 9.55 -119.02 3 3 2 34 359.333 8 ↓
Hi High (pH 8-9.5) 3.28 7.04 -41.46 2 3 1 33 358.325 8 ↓

Analogs

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Popular Name: N-[[3-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[(5-bromo-3-thienyl)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) 3.08 9.3 -116.66 3 3 2 34 359.333 7 ↓
Hi High (pH 8-9.5) 3.08 6.79 -38.96 2 3 1 33 358.325 7 ↓

Analogs

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Popular Name: 1-[2-(aminomethyl)-3-furyl]-N-[(5-bromo-3-thienyl)methyl]-N-methyl-methanamine 1-[2-(aminomethyl)-3-furyl]-N-[(…

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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 6.02 -123.27 4 3 2 45 317.252 5 ↓
Hi High (pH 8-9.5) 2.03 4.18 -47.28 3 3 1 44 316.244 5 ↓

Analogs

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Popular Name: [4-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-5-methyl-2-furyl]methanamine [4-[[(5-bromo-3-thienyl)methyl-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) 2.25 6.74 -101.3 4 3 2 45 331.279 5 ↓
Hi High (pH 8-9.5) 2.25 4.45 -45.04 3 3 1 44 330.271 5 ↓

Analogs

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Popular Name: 1-[4-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[[(5-bromo-3-thienyl)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) 2.63 8.64 -98.53 3 3 2 34 345.306 6 ↓
Hi High (pH 8-9.5) 2.63 6.29 -39.45 2 3 1 33 344.298 6 ↓

Analogs

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Popular Name: N-[[4-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[[(5-bromo-3-thienyl)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) 3.00 9.49 -98.3 3 3 2 34 359.333 7 ↓
Hi High (pH 8-9.5) 3.00 7.13 -38.63 2 3 1 33 358.325 7 ↓

Analogs

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Popular Name: N-[[4-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[[(5-bromo-3-thienyl)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) 3.50 10.24 -99.85 3 3 2 34 373.36 8 ↓
Hi High (pH 8-9.5) 3.50 7.89 -39.38 2 3 1 33 372.352 8 ↓

Analogs

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Popular Name: N-[[4-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[[(5-bromo-3-thienyl)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) 3.30 9.99 -95.83 3 3 2 34 373.36 7 ↓
Hi High (pH 8-9.5) 3.30 7.7 -36.96 2 3 1 33 372.352 7 ↓

Analogs

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Popular Name: N-[[3-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-[[(5-bromo-3-thienyl)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) 3.53 10.21 -118.64 3 3 2 34 373.36 8 ↓
Hi High (pH 8-9.5) 3.53 7.73 -41.68 2 3 1 33 372.352 8 ↓

Analogs

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Popular Name: N-[[3-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-[[(5-bromo-3-thienyl)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) 3.59 9.69 -113.51 3 3 2 34 373.36 7 ↓
Hi High (pH 8-9.5) 3.59 7.3 -36.06 2 3 1 33 372.352 7 ↓

Parameters Provided:

ring.id = 175626
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 = 175626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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