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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-hydroxyethyl)thieno[3,2-b]thiophene-2-carboxamide N-(2-hydroxyethyl)thieno[3,2-b]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) 1.47 0.71 -12.13 2 3 0 49 227.31 3 ↓

Analogs

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Popular Name: N-(3-oxo-4H-1,4-benzoxazin-7-yl)thieno[3,2-b]thiophene-2-carboxamide N-(3-oxo-4H-1,4-benzoxazin-7-yl)…

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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 4.22 -11.31 2 5 0 67 330.39 2 ↓

Analogs

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Popular Name: 5-ethyl-2-(2-hexoxythieno[3,2-b]thiophen-5-yl)pyrimidine 5-ethyl-2-(2-hexoxythieno[3,2-b]…

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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) 6.34 11.07 -6.98 0 3 0 35 346.521 8 ↓

Analogs

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Popular Name: [2-(4-propylphenyl)phenyl] [2-(4-propylphenyl)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) 9.05 19.05 -8.8 0 2 0 26 448.653 10 ↓

Analogs

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Popular Name: 2-(5-ethoxythieno[3,2-b]thiophen-2-yl)-5-ethyl-pyrimidine 2-(5-ethoxythieno[3,2-b]thiophen…

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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) 4.26 7.93 -7.42 0 3 0 35 290.413 4 ↓

Analogs

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Popular Name: (4-pentylphenyl) (4-pentylphenyl)

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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) 9.33 19 -7.6 0 2 0 26 463.108 13 ↓

Analogs

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Popular Name: 2-hexyl-5-(4-propylphenyl)thieno[3,2-b]thiophene 2-hexyl-5-(4-propylphenyl)thieno…

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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) 8.56 15.62 -4 0 0 0 0 342.573 8 ↓

Analogs

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Popular Name: 2-(4-nonoxyphenyl)-5-pentyl-thieno[3,2-b]thiophene 2-(4-nonoxyphenyl)-5-pentyl-thie…

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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) 9.38 18.33 -4.47 0 1 0 9 428.707 14 ↓

Analogs

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Popular Name: (4-ethylphenyl) (4-ethylphenyl)

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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) 7.71 14.68 -6.86 0 2 0 26 358.528 8 ↓

Analogs

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Popular Name: 2-[4-(4-decoxyphenyl)phenyl]-5-propyl-thieno[3,2-b]thiophene 2-[4-(4-decoxyphenyl)phenyl]-5-p…

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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) 9.65 20.97 -6.01 0 1 0 9 490.778 14 ↓

Analogs

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Popular Name: 5-propyl-2-(2-undecoxythieno[3,2-b]thiophen-5-yl)pyrimidine 5-propyl-2-(2-undecoxythieno[3,2…

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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) 8.81 15.76 -6.72 0 3 0 35 430.683 14 ↓

Analogs

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Popular Name: (4-fluorophenyl) (4-fluorophenyl)

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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) 8.45 15.28 -7.05 0 2 0 26 410.963 9 ↓

Analogs

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Popular Name: 5-butyl-2-(2-nonoxythieno[3,2-b]thiophen-5-yl)pyrimidine 5-butyl-2-(2-nonoxythieno[3,2-b]…

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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) 8.59 14.98 -6.8 0 3 0 35 416.656 13 ↓

Analogs

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Popular Name: 5-(4-butylphenyl)-2-hexyl-thieno[3,2-b]thiophene 5-(4-butylphenyl)-2-hexyl-thieno…

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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) 8.84 16.4 -3.99 0 0 0 0 356.6 9 ↓

Analogs

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Popular Name: 4-(2-propylthieno[3,2-b]thiophen-5-yl)benzonitrile 4-(2-propylthieno[3,2-b]thiophen…

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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) 5.63 11.44 -6.41 0 1 0 24 283.421 3 ↓

Analogs

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Popular Name: 2-[(1R,3S)-3-pentylcyclohexyl]-1-(2-pentylthieno[3,2-b]thiophen-5-yl)ethanone 2-[(1R,3S)-3-pentylcyclohexyl]-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) 9.03 17.18 -5.35 0 1 0 17 404.685 11 ↓

Analogs

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Popular Name: 2-[(1S,3S)-3-pentylcyclohexyl]-1-(2-pentylthieno[3,2-b]thiophen-5-yl)ethanone 2-[(1S,3S)-3-pentylcyclohexyl]-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) 9.03 16.92 -5.32 0 1 0 17 404.685 11 ↓

Analogs

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Popular Name: 2-[(1R,3R)-3-pentylcyclohexyl]-1-(2-pentylthieno[3,2-b]thiophen-5-yl)ethanone 2-[(1R,3R)-3-pentylcyclohexyl]-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) 9.03 16.93 -5.12 0 1 0 17 404.685 11 ↓

Analogs

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Popular Name: 2-[(1S,3R)-3-pentylcyclohexyl]-1-(2-pentylthieno[3,2-b]thiophen-5-yl)ethanone 2-[(1S,3R)-3-pentylcyclohexyl]-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) 9.03 17.18 -5.35 0 1 0 17 404.685 11 ↓

Analogs

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Popular Name: 2-[4-(4-pentylphenyl)phenyl]-5-propyl-thieno[3,2-b]thiophene 2-[4-(4-pentylphenyl)phenyl]-5-p…

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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) 9.11 18.25 -5 0 0 0 0 404.644 8 ↓

Analogs

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Popular Name: 4-(2-hexylthieno[3,2-b]thiophen-5-yl)benzonitrile 4-(2-hexylthieno[3,2-b]thiophen-…

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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) 7.21 13.78 -6.36 0 1 0 24 325.502 6 ↓

Analogs

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Popular Name: (4-propylphenyl) (4-propylphenyl)

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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) 8.09 15.46 -6.73 0 2 0 26 372.555 9 ↓

Analogs

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Popular Name: 2-heptyl-5-[4-(4-pentylcyclohexyl)phenyl]thieno[3,2-b]thiophene 2-heptyl-5-[4-(4-pentylcyclohexy…

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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) 9.68 21.35 -3.53 0 0 0 0 466.8 12 ↓

Analogs

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Popular Name: 5-ethyl-2-(5-methoxythieno[3,2-b]thiophen-2-yl)pyrimidine 5-ethyl-2-(5-methoxythieno[3,2-b…

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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) 3.89 6.99 -7.81 0 3 0 35 276.386 3 ↓

Analogs

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Popular Name: 5-(4-ethoxyphenyl)-2-hexyl-thieno[3,2-b]thiophene 5-(4-ethoxyphenyl)-2-hexyl-thien…

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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) 7.88 13.62 -4.93 0 1 0 9 344.545 8 ↓

Analogs

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Popular Name: [4-(4-propylcyclohexyl)phenyl] [4-(4-propylcyclohexyl)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) 9.15 19.06 -6.23 0 2 0 26 454.701 10 ↓

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Popular Name: (4-cyanophenyl) (4-cyanophenyl)

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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) 8.45 16.75 -7.9 0 3 0 50 411.592 11 ↓

Analogs

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Popular Name: 4-[2-(4-propylcyclohexyl)thieno[3,2-b]thiophen-5-yl]benzonitrile 4-[2-(4-propylcyclohexyl)thieno[…

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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) 7.48 14.97 -5.95 0 1 0 24 365.567 4 ↓

Analogs

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Popular Name: 5-butyl-2-(2-dodecoxythieno[3,2-b]thiophen-5-yl)pyrimidine 5-butyl-2-(2-dodecoxythieno[3,2-…

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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) 9.20 17.32 -6.8 0 3 0 35 458.737 16 ↓

Analogs

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Popular Name: 5-pentyl-2-(4-undecoxyphenyl)thieno[3,2-b]thiophene 5-pentyl-2-(4-undecoxyphenyl)thi…

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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) 9.61 19.89 -4.42 0 1 0 9 456.761 16 ↓

Analogs

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Popular Name: (4-pentylphenyl) (4-pentylphenyl)

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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) 8.51 16.22 -6.77 0 2 0 26 386.582 10 ↓

Analogs

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Popular Name: 2-(2-octoxythieno[3,2-b]thiophen-5-yl)-5-pentyl-pyrimidine 2-(2-octoxythieno[3,2-b]thiophen…

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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) 8.59 14.98 -6.86 0 3 0 35 416.656 13 ↓

Analogs

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Popular Name: 2-(4-nonoxyphenyl)-5-propyl-thieno[3,2-b]thiophene 2-(4-nonoxyphenyl)-5-propyl-thie…

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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) 9.06 16.77 -4.49 0 1 0 9 400.653 12 ↓

Analogs

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Popular Name: 5-hexyl-2-(5-methoxythieno[3,2-b]thiophen-2-yl)pyrimidine 5-hexyl-2-(5-methoxythieno[3,2-b…

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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) 5.85 10.11 -7.67 0 3 0 35 332.494 7 ↓

Analogs

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Popular Name: 5-heptyl-2-[4-(4-nonylcyclohexyl)phenyl]thieno[3,2-b]thiophene 5-heptyl-2-[4-(4-nonylcyclohexyl…

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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) 10.00 24.68 -3.53 0 0 0 0 522.908 16 ↓

Analogs

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Popular Name: [(1R,6R)-1-methyl-6-(4-propylphenyl)cyclohexa-2,4-dien-1-yl] [(1R,6R)-1-methyl-6-(4-propylphe…

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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) 9.03 18.68 -6.56 0 2 0 26 464.696 10 ↓

Analogs

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Popular Name: [(1S,6R)-1-methyl-6-(4-propylphenyl)cyclohexa-2,4-dien-1-yl] [(1S,6R)-1-methyl-6-(4-propylphe…

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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) 9.03 18.61 -5.94 0 2 0 26 464.696 10 ↓

Analogs

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Popular Name: [(1R,6S)-1-methyl-6-(4-propylphenyl)cyclohexa-2,4-dien-1-yl] [(1R,6S)-1-methyl-6-(4-propylphe…

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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) 9.03 18.62 -6 0 2 0 26 464.696 10 ↓

Analogs

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Popular Name: [(1S,6S)-1-methyl-6-(4-propylphenyl)cyclohexa-2,4-dien-1-yl] [(1S,6S)-1-methyl-6-(4-propylphe…

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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) 9.03 18.69 -6.56 0 2 0 26 464.696 10 ↓

Analogs

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Popular Name: 5-heptyl-2-(2-nonoxythieno[3,2-b]thiophen-5-yl)pyrimidine 5-heptyl-2-(2-nonoxythieno[3,2-b…

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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) 9.20 17.32 -6.74 0 3 0 35 458.737 16 ↓

Analogs

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Popular Name: (4-cyanophenyl) (4-cyanophenyl)

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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) 7.05 14.41 -7.85 0 3 0 50 369.511 8 ↓

Analogs

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Popular Name: 2-[4-(4-heptylcyclohexyl)phenyl]thieno[3,2-b]thiophene-5-carbonitrile 2-[4-(4-heptylcyclohexyl)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) 9.09 17.99 -3.72 0 1 0 24 421.675 8 ↓

Analogs

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Popular Name: 5-ethyl-2-(2-heptylthieno[3,2-b]thiophen-5-yl)pyrimidine 5-ethyl-2-(2-heptylthieno[3,2-b]…

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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) 7.08 13.01 -7.54 0 2 0 26 344.549 8 ↓

Analogs

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Popular Name: (4-propylphenyl) (4-propylphenyl)

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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) 7.03 13.88 -6.71 0 2 0 26 344.501 7 ↓

Analogs

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Popular Name: (4-cyanophenyl) (4-cyanophenyl)

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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) 7.56 15.19 -7.9 0 3 0 50 383.538 9 ↓

Analogs

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Popular Name: 2-[4-(4-dodecoxyphenyl)phenyl]-5-propyl-thieno[3,2-b]thiophene 2-[4-(4-dodecoxyphenyl)phenyl]-5…

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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) 9.83 22.53 -5.97 0 1 0 9 518.832 16 ↓

Analogs

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Popular Name: 5-hexyl-2-(5-pentylthieno[3,2-b]thiophen-2-yl)pyrimidine 5-hexyl-2-(5-pentylthieno[3,2-b]…

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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) 8.03 14.57 -7.32 0 2 0 26 372.603 10 ↓

Analogs

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Popular Name: (4-cyanophenyl) (4-cyanophenyl)

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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) 8.15 15.61 -8.93 0 3 0 50 417.983 9 ↓

Analogs

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Popular Name: 2-(2-decoxythieno[3,2-b]thiophen-5-yl)-5-pentyl-pyrimidine 2-(2-decoxythieno[3,2-b]thiophen…

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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) 9.03 16.54 -6.8 0 3 0 35 444.71 15 ↓

Analogs

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Popular Name: 5-hexyl-2-(2-octoxythieno[3,2-b]thiophen-5-yl)pyrimidine 5-hexyl-2-(2-octoxythieno[3,2-b]…

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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) 8.84 15.76 -6.89 0 3 0 35 430.683 14 ↓

Parameters Provided:

ring.id = 128700
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 = 128700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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