UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: thieno[2,3-b]thiophen-2-ylmethyl thieno[2,3-b]thiophen-2-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) 3.52 7.81 -11.77 2 4 0 50 324.452 4 ↓
Hi High (pH 8-9.5) 2.76 6.72 -34.92 1 4 -1 57 323.444 3 ↓

Analogs

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Popular Name: 3-chloro-N-(6-morpholino-3-pyridyl)thieno[5,4-b]thiophene-2-carboxamide 3-chloro-N-(6-morpholino-3-pyrid…

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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) 3.62 6.9 -10.9 1 5 0 54 379.894 3 ↓
Mid Mid (pH 6-8) 3.62 7.23 -36.78 2 5 1 56 380.902 3 ↓

Analogs

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Popular Name: 3-chloro-N-[3-(2-oxooxazolidin-3-yl)phenyl]thieno[5,4-b]thiophene-2-carboxamide 3-chloro-N-[3-(2-oxooxazolidin-3…

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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) 4.19 7.46 -16.25 1 5 0 59 378.862 3 ↓

Analogs

26146871
26146871

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Popular Name: 1-hydroxy-1-[(1R)-1-thieno[5,4-b]thiophen-2-ylethyl]urea 1-hydroxy-1-[(1R)-1-thieno[5,4-b…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-2-E Arachidonate 5-lipoxygenase (cluster #2 Of 7), Eukaryotic Eukaryotes 900 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 900 0.56 Functional ≤ 10μM
LOX5_HUMAN P09917 Arachidonate 5-lipoxygenase, Human 1200 0.55 Functional ≤ 10μM

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 1.45 -13.69 3 4 0 67 242.325 2 ↓
Hi High (pH 8-9.5) 2.23 2.13 -42.59 2 4 -1 69 241.317 2 ↓

Analogs

26146860
26146860

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Popular Name: 1-hydroxy-1-[(1S)-1-thieno[5,4-b]thiophen-2-ylethyl]urea 1-hydroxy-1-[(1S)-1-thieno[5,4-b…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-2-E Arachidonate 5-lipoxygenase (cluster #2 Of 7), Eukaryotic Eukaryotes 900 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 900 0.56 Functional ≤ 10μM
LOX5_HUMAN P09917 Arachidonate 5-lipoxygenase, Human 1200 0.55 Functional ≤ 10μM

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 1.45 -13.69 3 4 0 67 242.325 2 ↓
Hi High (pH 8-9.5) 2.23 2.13 -42.56 2 4 -1 69 241.317 2 ↓

Analogs

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Popular Name: 2-(5-heptyl-1,3-dioxan-2-yl)thieno[2,3-b]thiophene-5-carbonitrile 2-(5-heptyl-1,3-dioxan-2-yl)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) 6.50 11.3 -5.38 0 3 0 42 349.521 7 ↓

Analogs

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Popular Name: 5-nonyl-2-(5-octylthieno[2,3-b]thiophen-2-yl)-1,3-dioxane 5-nonyl-2-(5-octylthieno[2,3-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) 9.48 18.56 -5.48 0 2 0 18 464.781 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) 5.48 12.01 -7.43 0 3 0 50 327.43 5 ↓

Analogs

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Popular Name: 2-(5-ethyl-1,3-dioxan-2-yl)thieno[2,3-b]thiophene-5-carbonitrile 2-(5-ethyl-1,3-dioxan-2-yl)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) 3.92 7.41 -5.53 0 3 0 42 279.386 2 ↓

Analogs

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Popular Name: (4-heptylcyclohexyl) (4-heptylcyclohexyl)

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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 18.31 -4.57 0 2 0 26 434.711 13 ↓

Analogs

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Popular Name: (4-bromophenyl) (4-bromophenyl)

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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) 7.60 13.8 -5.18 0 2 0 26 409.37 7 ↓

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) 9.14 18.52 -6.13 0 2 0 26 428.663 13 ↓

Analogs

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Popular Name: 2-(2-octylthieno[2,3-b]thiophen-5-yl)-5-propyl-1,3-dioxane 2-(2-octylthieno[2,3-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) 8.31 13.83 -5.37 0 2 0 18 380.619 10 ↓

Analogs

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Popular Name: 5-[2-(4-fluorophenyl)ethyl]-2-pentyl-thieno[2,3-b]thiophene 5-[2-(4-fluorophenyl)ethyl]-2-pe…

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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) 7.41 14.29 -5.45 0 0 0 0 332.509 7 ↓

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) 9.00 17.75 -6.24 0 2 0 26 414.636 12 ↓

Analogs

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Popular Name: (4-butoxycyclohexyl) (4-butoxycyclohexyl)

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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) 6.37 13.13 -5.45 0 3 0 36 380.575 9 ↓

Analogs

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Popular Name: (4-butylphenyl) (4-butylphenyl)

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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 16.18 -6.16 0 2 0 26 386.582 10 ↓

Analogs

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Popular Name: 2-(5-propyl-1,3-dioxan-2-yl)thieno[2,3-b]thiophene-5-carbonitrile 2-(5-propyl-1,3-dioxan-2-yl)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) 4.48 8.12 -5.36 0 3 0 42 293.413 3 ↓

Analogs

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Popular Name: 5-butyl-2-(5-propylthieno[2,3-b]thiophen-2-yl)-1,3-dioxane 5-butyl-2-(5-propylthieno[2,3-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) 6.29 10.7 -5.41 0 2 0 18 324.511 6 ↓

Analogs

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Popular Name: (4-butylcyclohexyl) (4-butylcyclohexyl)

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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) 8.42 15.96 -4.63 0 2 0 26 392.63 10 ↓

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) 8.54 16.18 -6.27 0 2 0 26 386.582 10 ↓

Analogs

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Popular Name: (4-butylphenyl) (4-butylphenyl)

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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) 9.30 19.31 -6.13 0 2 0 26 442.69 14 ↓

Analogs

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Popular Name: 5-[2-(4-ethylphenyl)ethyl]-2-pentyl-thieno[2,3-b]thiophene 5-[2-(4-ethylphenyl)ethyl]-2-pen…

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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 15.66 -4.12 0 0 0 0 342.573 8 ↓

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) 8.09 15.38 -6.11 0 2 0 26 372.555 9 ↓

Analogs

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Popular Name: 5-butyl-2-(2-pentylthieno[2,3-b]thiophen-5-yl)-1,3-dioxane 5-butyl-2-(2-pentylthieno[2,3-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) 7.35 12.31 -5.69 0 2 0 18 352.565 8 ↓

Analogs

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Popular Name: (4-heptoxyphenyl) (4-heptoxyphenyl)

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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 17.3 -6.25 0 3 0 36 444.662 14 ↓

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 13.82 -6.17 0 2 0 26 344.501 7 ↓

Analogs

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Popular Name: [4-(5-propyl-1,3-dioxan-2-yl)phenyl] [4-(5-propyl-1,3-dioxan-2-yl)phe…

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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) 8.32 15.77 -7.66 0 4 0 45 458.645 10 ↓

Analogs

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

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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) 7.00 14.62 -8.01 0 1 0 24 339.529 7 ↓

Analogs

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Popular Name: (4-butylcyclohexyl) (4-butylcyclohexyl)

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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) 7.46 14.4 -4.63 0 2 0 26 364.576 8 ↓

Analogs

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Popular Name: 2-pentyl-5-[2-(4-pentylcyclohexyl)ethyl]thieno[2,3-b]thiophene 2-pentyl-5-[2-(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) 9.17 17.97 -3.02 0 0 0 0 390.702 11 ↓

Analogs

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Popular Name: 2-(5-nonyl-1,3-dioxan-2-yl)thieno[2,3-b]thiophene-5-carbonitrile 2-(5-nonyl-1,3-dioxan-2-yl)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) 7.51 12.87 -5.36 0 3 0 42 377.575 9 ↓

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 14.35 -7.49 0 3 0 50 369.511 8 ↓

Analogs

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Popular Name: (4-butylphenyl) (4-butylphenyl)

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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) 8.98 17.74 -6.14 0 2 0 26 414.636 12 ↓

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) 8.45 16.69 -7.38 0 3 0 50 411.592 11 ↓

Analogs

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Popular Name: [4-(1-cyano-4-propyl-cyclohexyl)phenyl] [4-(1-cyano-4-propyl-cyclohexyl)…

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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) 8.94 18.47 -9.58 0 3 0 50 479.711 10 ↓

Analogs

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Popular Name: (4-nonoxyphenyl) (4-nonoxyphenyl)

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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) 9.34 18.87 -6.26 0 3 0 36 472.716 16 ↓

Analogs

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Popular Name: 5-[2-(4-butylcyclohexyl)ethyl]-2-pentyl-thieno[2,3-b]thiophene 5-[2-(4-butylcyclohexyl)ethyl]-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) 9.00 17.19 -3.02 0 0 0 0 376.675 10 ↓

Analogs

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Popular Name: (4-heptylcyclohexyl) (4-heptylcyclohexyl)

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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) 8.68 16.74 -4.56 0 2 0 26 406.657 11 ↓

Analogs

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Popular Name: 5-[2-(4-chlorophenyl)ethyl]-2-pentyl-thieno[2,3-b]thiophene 5-[2-(4-chlorophenyl)ethyl]-2-pe…

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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) 7.93 14.74 -4.72 0 0 0 0 348.964 7 ↓

Analogs

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Popular Name: 2-pentylthieno[2,3-b]thiophene-5-carboxylic 2-pentylthieno[2,3-b]thiophene-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) 4.84 9.52 -46.88 0 2 -1 40 253.368 5 ↓

Analogs

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Popular Name: (4-butoxyphenyl) (4-butoxyphenyl)

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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) 8.25 14.98 -6.53 0 3 0 36 402.581 11 ↓

Analogs

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Popular Name: (4-chlorophenyl) (4-chlorophenyl)

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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) 7.47 13.7 -5.26 0 2 0 26 364.919 7 ↓

Analogs

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Popular Name: 2-(5-pentyl-1,3-dioxan-2-yl)thieno[2,3-b]thiophene-5-carbonitrile 2-(5-pentyl-1,3-dioxan-2-yl)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) 5.49 9.74 -5.45 0 3 0 42 321.467 5 ↓

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 16.16 -6.2 0 2 0 26 386.582 10 ↓

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) 9.15 18.52 -6.09 0 2 0 26 428.663 13 ↓

Analogs

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Popular Name: [2-(4-cyanophenyl)phenyl] [2-(4-cyanophenyl)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) 8.26 17.17 -9.43 0 3 0 50 431.582 8 ↓

Analogs

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Popular Name: 2-[2-(4-heptylphenyl)ethyl]-5-pentyl-thieno[2,3-b]thiophene 2-[2-(4-heptylphenyl)ethyl]-5-pe…

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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) 9.29 19.57 -3.84 0 0 0 0 412.708 13 ↓

Analogs

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Popular Name: 2-(5-butyl-1,3-dioxan-2-yl)thieno[2,3-b]thiophene-5-carbonitrile 2-(5-butyl-1,3-dioxan-2-yl)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) 4.99 8.96 -5.5 0 3 0 42 307.44 4 ↓

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 -5.68 0 2 0 26 454.701 10 ↓

Parameters Provided:

ring.id = 14732
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 = 14732 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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