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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(3-methylisoxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-amine N-[(3-methylisoxazol-5-yl)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) 2.13 6.06 -37.97 2 4 1 52 246.315 3 ↓
Hi High (pH 8-9.5) 2.13 5.7 -8.79 1 4 0 51 245.307 3 ↓

Analogs

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Popular Name: N-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)propanamide N-methyl-3-(thieno[3,2-c]pyridin…

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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) 1.17 3.57 -32.98 3 4 1 55 236.32 4 ↓
Hi High (pH 8-9.5) 1.17 3.21 -13.83 2 4 0 54 235.312 4 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(thieno[3,2-c]pyridin-4-ylamino)propanoic (2R)-2-phenyl-2-(thieno[3,2-c]py…

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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) 3.06 9.21 -28.17 2 4 0 66 298.367 4 ↓
Hi High (pH 8-9.5) 3.06 9.49 -53.54 1 4 -1 65 297.359 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(thieno[3,2-c]pyridin-4-ylamino)propanoic (2S)-2-phenyl-2-(thieno[3,2-c]py…

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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) 3.06 9.15 -28.53 2 4 0 66 298.367 4 ↓
Hi High (pH 8-9.5) 3.06 9.5 -53.53 1 4 -1 65 297.359 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine N-[[4-(2-aminoethyl)phenyl]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) 2.17 7.11 -83.54 5 3 2 54 285.416 5 ↓
Mid Mid (pH 6-8) 2.17 6.76 -49.88 4 3 1 53 284.408 5 ↓

Analogs

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Popular Name: 2-[2-(thieno[3,2-c]pyridin-4-ylamino)ethoxy]ethanol 2-[2-(thieno[3,2-c]pyridin-4-yla…

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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) 1.05 2.23 -31.52 3 4 1 56 239.32 6 ↓
Hi High (pH 8-9.5) 1.05 1.86 -9.22 2 4 0 54 238.312 6 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]thieno[3,2-c]pyridin-4-amine N-[(3-aminophenyl)methyl]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) 2.24 6.16 -31.14 4 3 1 52 256.354 3 ↓
Mid Mid (pH 6-8) 2.24 5.81 -6.13 3 3 0 51 255.346 3 ↓

Analogs

37998866
37998866
37998867
37998867

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Popular Name: N-(1,1-dioxothian-4-yl)thieno[3,2-c]pyridin-4-amine N-(1,1-dioxothian-4-yl)thieno[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) 1.58 3.99 -46.72 2 4 1 60 283.398 2 ↓
Hi High (pH 8-9.5) 1.58 3.64 -13.87 1 4 0 59 282.39 2 ↓

Analogs

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Popular Name: [(2R)-1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl]methanamine [(2R)-1-thieno[3,2-c]pyridin-4-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) 1.23 5.7 -98.92 4 3 2 45 235.356 2 ↓
Hi High (pH 8-9.5) 1.23 5.29 -34.02 3 3 1 44 234.348 2 ↓

Analogs

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Popular Name: [(2S)-1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl]methanamine [(2S)-1-thieno[3,2-c]pyridin-4-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) 1.23 5.68 -98.86 4 3 2 45 235.356 2 ↓
Hi High (pH 8-9.5) 1.23 5.25 -34.15 3 3 1 44 234.348 2 ↓

Analogs

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Popular Name: N-methyl-N-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine N-methyl-N-thieno[3,2-c]pyridin-…

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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) 0.84 3.84 -43.73 3 3 1 44 208.31 3 ↓
Hi High (pH 8-9.5) 0.84 3.46 -5.95 2 3 0 42 207.302 3 ↓
Lo Low (pH 4.5-6) 0.84 4.32 -96.68 4 3 2 45 209.318 3 ↓

Analogs

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Popular Name: N,N'-dimethyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine N,N'-dimethyl-N'-thieno[3,2-c]py…

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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) 1.82 5.72 -39.18 2 3 1 33 222.337 4 ↓
Hi High (pH 8-9.5) 1.82 4.77 -27.37 2 3 1 29 222.337 4 ↓
Hi High (pH 8-9.5) 1.82 4.29 -5.93 1 3 0 28 221.329 4 ↓

Analogs

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Popular Name: N-methyl-1-(1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)methanamine N-methyl-1-(1-thieno[3,2-c]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) 2.59 7.86 -84.06 3 3 2 34 263.41 3 ↓
Hi High (pH 8-9.5) 2.59 7.37 -43.08 2 3 1 33 262.402 3 ↓

Analogs

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Popular Name: [(3R)-2-thieno[3,2-c]pyridin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3R)-2-thieno[3,2-c]pyridin-4-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) 2.22 7.59 -105.21 4 3 2 45 297.427 2 ↓
Hi High (pH 8-9.5) 2.22 7.08 -47.6 3 3 1 44 296.419 2 ↓

Analogs

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Popular Name: [(3S)-2-thieno[3,2-c]pyridin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-thieno[3,2-c]pyridin-4-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) 2.22 7.55 -105.06 4 3 2 45 297.427 2 ↓
Hi High (pH 8-9.5) 2.22 7.08 -47.69 3 3 1 44 296.419 2 ↓

Analogs

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Popular Name: N-[(1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)methyl]ethanamine N-[(1-thieno[3,2-c]pyridin-4-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) 2.62 8.73 -83.91 3 3 2 34 277.437 4 ↓
Hi High (pH 8-9.5) 2.62 8.24 -42.12 2 3 1 33 276.429 4 ↓

Analogs

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Popular Name: N-[(1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)methyl]propan-1-amine N-[(1-thieno[3,2-c]pyridin-4-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) 3.12 9.48 -85.4 3 3 2 34 291.464 5 ↓
Hi High (pH 8-9.5) 3.12 9 -43.07 2 3 1 33 290.456 5 ↓

Analogs

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Popular Name: N-[(1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)methyl]propan-2-amine N-[(1-thieno[3,2-c]pyridin-4-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) 3.27 9.24 -83.36 3 3 2 34 291.464 4 ↓
Hi High (pH 8-9.5) 3.27 8.75 -40.86 2 3 1 33 290.456 4 ↓

Analogs

48302659
48302659
33174239
33174239
33174237
33174237
33174376
33174376
33174373
33174373

Draw Identity 99% 90% 80% 70%

Popular Name: 1-thieno[3,2-c]pyridin-4-ylpiperidin-4-amine 1-thieno[3,2-c]pyridin-4-ylpiper…

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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) 1.30 5.21 -91.99 4 3 2 45 235.356 1 ↓
Hi High (pH 8-9.5) 1.30 4.73 -46.25 3 3 1 44 234.348 1 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-c]pyridin-4-amine N-(1,3-benzodioxol-5-ylmethyl)th…

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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 6.96 -37.48 2 4 1 45 285.348 3 ↓
Mid Mid (pH 6-8) 3.08 6.6 -8.23 1 4 0 43 284.34 3 ↓

Analogs

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Popular Name: N-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine N-[[4-(trifluoromethyl)phenyl]me…

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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) 4.08 9.3 -36.71 2 2 1 26 309.336 4 ↓
Mid Mid (pH 6-8) 4.08 8.94 -6.09 1 2 0 25 308.328 4 ↓

Analogs

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Popular Name: N-[(6-methoxy-3-pyridyl)methyl]thieno[3,2-c]pyridin-4-amine N-[(6-methoxy-3-pyridyl)methyl]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) 2.35 4.99 -36.84 2 4 1 48 272.353 4 ↓
Hi High (pH 8-9.5) 2.35 4.63 -7.37 1 4 0 47 271.345 4 ↓

Analogs

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Popular Name: N-[(2-methoxy-4-pyridyl)methyl]thieno[3,2-c]pyridin-4-amine N-[(2-methoxy-4-pyridyl)methyl]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) 2.30 5 -36.6 2 4 1 48 272.353 4 ↓
Hi High (pH 8-9.5) 2.30 4.65 -7.62 1 4 0 47 271.345 4 ↓

Analogs

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Popular Name: N-[2-(4-methylthiazol-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine N-[2-(4-methylthiazol-2-yl)ethyl…

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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) 2.48 6.83 -32.51 2 3 1 39 276.41 4 ↓
Hi High (pH 8-9.5) 2.48 6.47 -9.36 1 3 0 38 275.402 4 ↓

Analogs

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Popular Name: N-(3-thienylmethyl)thieno[3,2-c]pyridin-4-amine N-(3-thienylmethyl)thieno[3,2-c]…

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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 7.2 -31.47 2 2 1 26 247.368 3 ↓
Hi High (pH 8-9.5) 2.78 6.85 -5.52 1 2 0 25 246.36 3 ↓

Analogs

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Popular Name: N-[(6-methyl-3-pyridyl)methyl]thieno[3,2-c]pyridin-4-amine N-[(6-methyl-3-pyridyl)methyl]th…

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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) 2.01 7.12 -34.78 2 3 1 39 256.354 3 ↓
Hi High (pH 8-9.5) 2.01 6.76 -7.18 1 3 0 38 255.346 3 ↓
Lo Low (pH 4.5-6) 2.01 7.56 -86.85 3 3 2 40 257.362 3 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]thieno[3,2-c]pyridin-4-amine N-[(1S)-2-(4-fluorophenyl)-1-met…

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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) 4.09 10.08 -33.42 2 2 1 26 287.383 4 ↓
Hi High (pH 8-9.5) 4.09 9.74 -8.17 1 2 0 25 286.375 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-2-(4-fluorophenyl)-1-met…

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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) 4.09 10.06 -33.48 2 2 1 26 287.383 4 ↓
Hi High (pH 8-9.5) 4.09 9.72 -8.18 1 2 0 25 286.375 4 ↓

Analogs

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Popular Name: N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-c]pyridin-4-amine N-[(5-methylpyrazin-2-yl)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) 1.94 5.2 -34.15 2 4 1 52 257.342 3 ↓
Hi High (pH 8-9.5) 1.94 4.84 -8.01 1 4 0 51 256.334 3 ↓

Analogs

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Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thieno[3,2-c]pyridin-4-amine N-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 3.78 9.45 -30.17 2 2 1 26 287.433 2 ↓
Hi High (pH 8-9.5) 3.78 9.19 -6.61 1 2 0 25 286.425 2 ↓

Analogs

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Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thieno[3,2-c]pyridin-4-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 3.78 9.06 -29.25 2 2 1 26 287.433 2 ↓
Hi High (pH 8-9.5) 3.78 8.74 -6.57 1 2 0 25 286.425 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-thienyl)ethyl]thieno[3,2-c]pyridin-4-amine N-[(1S)-1-(3-thienyl)ethyl]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) 3.34 8.07 -30.78 2 2 1 26 261.395 3 ↓
Hi High (pH 8-9.5) 3.34 7.73 -5.92 1 2 0 25 260.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-thienyl)ethyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-1-(3-thienyl)ethyl]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) 3.34 8.07 -30.8 2 2 1 26 261.395 3 ↓
Hi High (pH 8-9.5) 3.34 7.73 -5.9 1 2 0 25 260.387 3 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-methyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine N-(2-methoxyethyl)-N-methyl-N'-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) 1.80 6.04 -39.25 2 4 1 39 266.39 7 ↓
Hi High (pH 8-9.5) 1.80 4.04 -30.03 2 4 1 39 266.39 7 ↓
Mid Mid (pH 6-8) 1.80 3.68 -7.51 1 4 0 37 265.382 7 ↓

Analogs

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Popular Name: 4-(azetidin-3-yloxy)thieno[3,2-c]pyridine 4-(azetidin-3-yloxy)thieno[3,2-c…

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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) 1.62 2.35 -40.04 2 3 1 39 207.278 2 ↓
Hi High (pH 8-9.5) 1.62 0.65 -6.96 1 3 0 34 206.27 2 ↓

Analogs

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Popular Name: 4-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)thieno[3,2-c]pyridine 4-(2,3,4,5-tetrahydro-1,4-benzod…

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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) 3.10 8.42 -40.97 2 3 1 33 282.392 1 ↓
Mid Mid (pH 6-8) 3.10 8.93 -97.61 3 3 2 34 283.4 1 ↓

Analogs

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Popular Name: (1S)-1-phenyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine (1S)-1-phenyl-N'-thieno[3,2-c]py…

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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 6.65 -110.77 5 3 2 54 271.389 4 ↓
Hi High (pH 8-9.5) 0.90 6.21 -29.41 4 3 1 52 270.381 4 ↓
Hi High (pH 8-9.5) 0.90 6.29 -51.23 4 3 1 53 270.381 4 ↓

Analogs

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Popular Name: (1R)-1-phenyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine (1R)-1-phenyl-N'-thieno[3,2-c]py…

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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 6.65 -110.77 5 3 2 54 271.389 4 ↓
Hi High (pH 8-9.5) 0.90 6.3 -31.6 4 3 1 52 270.381 4 ↓
Hi High (pH 8-9.5) 0.90 5.95 -6.74 3 3 0 51 269.373 4 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]thieno[3,2-c]pyridin-4-amine N-[3-(2-aminoethoxy)phenyl]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) 2.76 5.89 -47.58 4 4 1 62 286.38 5 ↓
Hi High (pH 8-9.5) 2.76 5.45 -8.37 3 4 0 60 285.372 5 ↓
Mid Mid (pH 6-8) 2.76 6 -82.69 5 4 2 63 287.388 5 ↓

Analogs

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Popular Name: 4-methyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-4-carboxylic 4-methyl-1-thieno[3,2-c]pyridin-…

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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 8.77 -55.6 1 4 0 58 276.361 2 ↓
Hi High (pH 8-9.5) 2.30 8.29 -52.4 0 4 -1 56 275.353 2 ↓

Analogs

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Popular Name: 4-ethyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-4-carboxylic 4-ethyl-1-thieno[3,2-c]pyridin-4…

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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 9.26 -54.57 1 4 0 58 290.388 3 ↓
Hi High (pH 8-9.5) 2.63 8.78 -51.99 0 4 -1 56 289.38 3 ↓

Analogs

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Popular Name: 4-propyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-4-carboxylic 4-propyl-1-thieno[3,2-c]pyridin-…

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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) 3.19 9.99 -54.87 1 4 0 58 304.415 4 ↓
Hi High (pH 8-9.5) 3.19 9.51 -52.17 0 4 -1 56 303.407 4 ↓

Analogs

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Popular Name: N-[[4-(methylsulfonylmethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine N-[[4-(methylsulfonylmethyl)phen…

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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) 2.56 6.52 -41.25 2 4 1 60 333.458 5 ↓
Mid Mid (pH 6-8) 2.56 6.17 -16.36 1 4 0 59 332.45 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]thieno[3,2-c]pyridin-4-amine N-[(3R)-1,1-dioxothian-3-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) 1.58 4.01 -41.91 2 4 1 60 283.398 2 ↓
Mid Mid (pH 6-8) 1.58 3.68 -14.87 1 4 0 59 282.39 2 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothian-3-yl]thieno[3,2-c]pyridin-4-amine N-[(3S)-1,1-dioxothian-3-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) 1.58 4.01 -41.88 2 4 1 60 283.398 2 ↓
Mid Mid (pH 6-8) 1.58 3.68 -14.85 1 4 0 59 282.39 2 ↓

Analogs

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Popular Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]thieno[3,2-c]pyridin-4-amine N-[[6-(4-methylpiperazin-1-yl)-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) 2.29 9.99 -78.07 3 5 2 47 341.484 4 ↓
Hi High (pH 8-9.5) 2.29 7.62 -34.76 2 5 1 46 340.476 4 ↓
Hi High (pH 8-9.5) 2.29 7.26 -7.63 1 5 0 44 339.468 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3S)-3-methyl-1-thieno[3,2-c]pyr…

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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 9.21 -54.21 1 4 0 58 276.361 2 ↓
Hi High (pH 8-9.5) 2.30 8.7 -49.44 0 4 -1 56 275.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3R)-3-methyl-1-thieno[3,2-c]pyr…

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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 9.17 -54.17 1 4 0 58 276.361 2 ↓
Hi High (pH 8-9.5) 2.30 8.66 -49.34 0 4 -1 56 275.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3S)-3-ethyl-1-thieno[3,2-c]pyri…

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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 9.7 -53.49 1 4 0 58 290.388 3 ↓
Hi High (pH 8-9.5) 2.63 9.19 -48.58 0 4 -1 56 289.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3R)-3-ethyl-1-thieno[3,2-c]pyri…

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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 9.59 -34.11 1 4 0 58 290.388 3 ↓
Hi High (pH 8-9.5) 2.63 9.49 -54.1 0 4 -1 56 289.38 3 ↓

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 = 14873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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