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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 3.25 6.44 -9.32 2 7 0 89 298.302 5 ↓
Mid Mid (pH 6-8) 3.25 6.1 -46.86 1 7 -1 87 297.294 5 ↓

Analogs

13732385
13732385

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]-2-quinolyl]aniline 2-[6-[(2-ethyl-5,7-dimethyl-imid…

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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) 4.98 12.71 -13.9 2 5 0 70 407.521 4 ↓

Analogs

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Popular Name: (1R)-1-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)-1-phenyl-ethanamine (1R)-1-(6-bromo-3H-imidazo[4,5-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) 3.00 5.33 -51.27 4 4 1 69 318.198 2 ↓
Mid Mid (pH 6-8) 3.00 4.83 -37.6 3 4 0 68 317.19 2 ↓
Mid Mid (pH 6-8) 3.00 5.11 -6.41 3 4 0 68 317.19 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)-1-phenyl-ethanamine (1S)-1-(6-bromo-3H-imidazo[4,5-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) 3.00 5.32 -51.23 4 4 1 69 318.198 2 ↓
Mid Mid (pH 6-8) 3.00 5.09 -6.01 3 4 0 68 317.19 2 ↓
Mid Mid (pH 6-8) 3.00 4.84 -37.53 3 4 0 68 317.19 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5S)-3-(fluoromethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrah (2S,3R,4R,5S)-3-(fluoromethyl)-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) -1.36 -3.7 -35.13 5 8 1 114 313.309 4 ↓
Hi High (pH 8-9.5) -1.36 -4.15 -10.23 4 8 0 113 312.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5R)-3-(fluoromethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrah (2S,3R,4R,5R)-3-(fluoromethyl)-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) -1.36 -4.67 -38.24 5 8 1 114 313.309 4 ↓
Hi High (pH 8-9.5) -1.36 -5.12 -12.38 4 8 0 113 312.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S)-3-(fluoromethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrah (2S,3R,4S,5S)-3-(fluoromethyl)-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) -1.36 -3.09 -35.9 5 8 1 114 313.309 4 ↓
Hi High (pH 8-9.5) -1.36 -3.6 -12.68 4 8 0 113 312.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5R)-3-(fluoromethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrah (2S,3R,4S,5R)-3-(fluoromethyl)-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) -1.36 -3.27 -40.45 5 8 1 114 313.309 4 ↓
Hi High (pH 8-9.5) -1.36 -3.75 -13.5 4 8 0 113 312.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5S)-3-(azidomethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrahy (2S,3R,4R,5S)-3-(azidomethyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.96 -7.11 -35.75 5 11 1 164 336.332 5 ↓
Hi High (pH 8-9.5) -0.96 -7.56 -13.13 4 11 0 162 335.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5R)-3-(azidomethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrahy (2S,3R,4R,5R)-3-(azidomethyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.96 -8.09 -38.64 5 11 1 164 336.332 5 ↓
Hi High (pH 8-9.5) -0.96 -8.54 -14.93 4 11 0 162 335.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S)-3-(azidomethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrahy (2S,3R,4S,5S)-3-(azidomethyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.96 -6.61 -37.2 5 11 1 164 336.332 5 ↓
Hi High (pH 8-9.5) -0.96 -7.11 -15.66 4 11 0 162 335.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5R)-3-(azidomethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrahy (2S,3R,4S,5R)-3-(azidomethyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.96 -6.71 -40.2 5 11 1 164 336.332 5 ↓
Hi High (pH 8-9.5) -0.96 -7.2 -15.38 4 11 0 162 335.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5S)-3-(azidomethyl)-5-(7-hydroxyimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofur (2S,3R,4R,5S)-3-(azidomethyl)-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) -1.04 -8.45 -55.04 3 11 -1 173 321.273 4 ↓
Mid Mid (pH 6-8) -1.04 -9.22 -14.8 4 11 0 171 322.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5R)-3-(azidomethyl)-5-(7-hydroxyimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofur (2S,3R,4R,5R)-3-(azidomethyl)-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) -1.04 -9.41 -58.98 3 11 -1 173 321.273 4 ↓
Mid Mid (pH 6-8) -1.04 -10.17 -16.68 4 11 0 171 322.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S)-3-(azidomethyl)-5-(7-hydroxyimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofur (2S,3R,4S,5S)-3-(azidomethyl)-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) -1.04 -7.98 -57.91 3 11 -1 173 321.273 4 ↓
Mid Mid (pH 6-8) -1.04 -8.75 -17.42 4 11 0 171 322.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5R)-3-(azidomethyl)-5-(7-hydroxyimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofur (2S,3R,4S,5R)-3-(azidomethyl)-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) -1.04 -8.09 -60.71 3 11 -1 173 321.273 4 ↓
Mid Mid (pH 6-8) -1.04 -8.85 -17.44 4 11 0 171 322.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5S)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-bis(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4R,5S)-5-(7-aminoimidazo[…

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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) -2.67 -7.22 -35.99 7 9 1 148 297.291 3 ↓
Hi High (pH 8-9.5) -2.67 -7.68 -14.47 6 9 0 147 296.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-bis(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4R,5R)-5-(7-aminoimidazo[…

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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) -2.67 -8.2 -38.72 7 9 1 148 297.291 3 ↓
Hi High (pH 8-9.5) -2.67 -8.66 -16.25 6 9 0 147 296.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-bis(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4S,5S)-5-(7-aminoimidazo[…

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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) -2.67 -7.2 -37.5 7 9 1 148 297.291 3 ↓
Hi High (pH 8-9.5) -2.67 -7.71 -17.13 6 9 0 147 296.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-bis(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4S,5R)-5-(7-aminoimidazo[…

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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) -2.67 -6.78 -40.73 7 9 1 148 297.291 3 ↓
Hi High (pH 8-9.5) -2.67 -7.27 -14.5 6 9 0 147 296.283 3 ↓

Analogs

43460926
43460926
43460939
43460939
43460943
43460943

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-bromo-3H-imidazo[5,4-b]pyridin-2-yl)acetonitrile 2-(6-bromo-3H-imidazo[5,4-b]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) 1.55 4.23 -14.5 1 4 0 65 237.06 1 ↓
Hi High (pH 8-9.5) 1.55 3.73 -36 0 4 -1 64 236.052 1 ↓
Hi High (pH 8-9.5) 1.55 4.16 -18.53 1 4 0 65 237.06 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methylimidazo[5,4-b]pyridine-2-sulfonic 3-methylimidazo[5,4-b]pyridine-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) -1.93 0.17 -49.31 0 6 -1 88 212.21 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-2-[(2-methoxyphenoxy)methyl]imidazo[5,4-b]pyridine 3-[1-[(4-fluorophenyl)methyl]-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) 3.95 1.31 -54.89 1 6 1 54 447.534 7 ↓
Mid Mid (pH 6-8) 3.95 1.48 -97.87 2 6 2 55 448.542 7 ↓
Lo Low (pH 4.5-6) 3.95 1.56 -113.11 2 6 2 55 448.542 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[2-(cyclopentylmethyl)imidazo[5,4-b]pyridin-3-yl]-1-piperidyl]-(4,5,6,7-tetrahydro-2H-indazol-3-y [4-[2-(cyclopentylmethyl)imidazo…

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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) 3.91 -3.27 -16.06 1 7 0 80 432.572 4 ↓
Lo Low (pH 4.5-6) 3.91 -3.02 -40.4 2 7 1 81 433.58 4 ↓

Analogs

35526507
35526507

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidyl]-2-isopropyl-imidazo[5,4-b]pyridine 3-[1-(2,1,3-benzothiadiazol-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 -7.11 -17.3 0 8 0 94 442.57 4 ↓
Mid Mid (pH 6-8) 3.12 -6.94 -38.93 1 8 1 95 443.578 4 ↓
Lo Low (pH 4.5-6) 3.12 -6.85 -39.73 1 8 1 95 443.578 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-[[4-[2-(o-tolylmethyl)imidazo[5,4-b]pyridin-3-yl]-1-piperidyl]methyl]phenol 5-methoxy-2-[[4-[2-(o-tolylmethy…

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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) 4.86 -0.52 -51.4 2 6 1 65 443.571 6 ↓
Mid Mid (pH 6-8) 4.86 -0.34 -94.65 3 6 2 66 444.579 6 ↓
Lo Low (pH 4.5-6) 4.86 -0.28 -108.56 3 6 2 66 444.579 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclobutyl-3-[1-[2-(trifluoromethoxy)phenyl]sulfonyl-4-piperidyl]imidazo[5,4-b]pyridine 2-cyclobutyl-3-[1-[2-(trifluorom…

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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) 3.60 -2.59 -17.81 0 7 0 77 480.512 6 ↓
Lo Low (pH 4.5-6) 3.60 -2.33 -36.88 1 7 1 79 481.52 6 ↓

Analogs

21634501
21634501

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[(2-chlorophenyl)methyl]-4-piperidyl]-2-isopropyl-imidazo[5,4-b]pyridine 3-[1-[(2-chlorophenyl)methyl]-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) 4.19 0.86 -44.93 1 4 1 35 369.92 4 ↓
Mid Mid (pH 6-8) 4.19 1.03 -84.45 2 4 2 36 370.928 4 ↓
Lo Low (pH 4.5-6) 4.19 1.1 -95.64 2 4 2 36 370.928 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[5,4-b]pyridin-3-yl]-1-piperidyl]m (2,5-dimethylpyrazol-3-yl)-[4-[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) 3.08 -0.17 -20.41 0 8 0 78 458.566 6 ↓
Lo Low (pH 4.5-6) 3.08 0.09 -44.72 1 8 1 79 459.574 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[(3-methyl-2-thienyl)methyl]-4-piperidyl]-2-phenethyl-imidazo[5,4-b]pyridine 3-[1-[(3-methyl-2-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) 4.78 0.37 -49.09 1 4 1 35 417.602 6 ↓
Lo Low (pH 4.5-6) 4.78 0.62 -108.81 2 4 2 36 418.61 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(4-methoxyphenyl)ethyl]imidazo[5,4-b]pyridin-3-yl]-1-piperidyl]m (2,5-dimethylpyrazol-3-yl)-[4-[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) 3.11 -0.17 -19.67 0 8 0 78 458.566 6 ↓
Lo Low (pH 4.5-6) 3.11 0.09 -44.54 1 8 1 79 459.574 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(2-isopropylimidazo[5,4-b]pyridin-3-yl)-1-piperidyl] [3-[(3,5-dimethylpyrazol-1-yl)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) 3.19 0.26 -24.11 0 7 0 69 456.594 5 ↓

Analogs

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Popular Name: 3-[4-[2-[(3-methoxyphenyl)methyl]imidazo[5,4-b]pyridin-3-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-p 3-[4-[2-[(3-methoxyphenyl)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) 2.87 -1.44 -29.83 1 8 0 93 471.561 5 ↓

Analogs

11995948
11995948

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Popular Name: 4-[(1R)-2-[4-[2-(cyclopentylmethyl)imidazo[5,4-b]pyridin-3-yl]-1-piperidyl]-1-methyl-2-oxo-ethyl]-2H 4-[(1R)-2-[4-[2-(cyclopentylmeth…

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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) 4.02 -3.06 -21.88 1 8 0 97 484.604 5 ↓

Analogs

11995947
11995947

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Popular Name: 4-[(1S)-2-[4-[2-(cyclopentylmethyl)imidazo[5,4-b]pyridin-3-yl]-1-piperidyl]-1-methyl-2-oxo-ethyl]-2H 4-[(1S)-2-[4-[2-(cyclopentylmeth…

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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) 4.02 -3.09 -25.17 1 8 0 97 484.604 5 ↓

Analogs

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Popular Name: 2-[(3-methoxyphenyl)methyl]-3-[1-[(5-methyl-2-thienyl)methyl]-4-piperidyl]imidazo[5,4-b]pyridine 2-[(3-methoxyphenyl)methyl]-3-[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) 4.64 -0.03 -47.56 1 5 1 44 433.601 6 ↓

Analogs

12022095
12022095

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Popular Name: (5-chloro-3-phenyl-1H-indol-2-yl)-[4-[2-[(2S)-tetrahydrofuran-2-yl]imidazo[5,4-b]pyridin-3-yl]-1-pip (5-chloro-3-phenyl-1H-indol-2-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) 5.34 -2.56 -22.09 1 7 0 76 526.04 4 ↓

Analogs

12022089
12022089

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Popular Name: (5-chloro-3-phenyl-1H-indol-2-yl)-[4-[2-[(2R)-tetrahydrofuran-2-yl]imidazo[5,4-b]pyridin-3-yl]-1-pip (5-chloro-3-phenyl-1H-indol-2-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) 5.34 -2.5 -21.14 1 7 0 76 526.04 4 ↓

Analogs

36159930
36159930
36159935
36159935
36159945
36159945
20532317
20532317
20532318
20532318

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Popular Name: N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-4-[[3-(p-tolylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl N-[(1R,2S,3S)-2,3-dimethylcycloh…

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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) 6.74 16.47 -14.76 1 5 0 60 498.696 7 ↓

Analogs

36159935
36159935
36159945
36159945
36159924
36159924
20532317
20532317
20532318
20532318

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Popular Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4-[[3-(p-tolylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl N-[(1S,2S,3S)-2,3-dimethylcycloh…

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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) 6.74 16.62 -14.81 1 5 0 60 498.696 7 ↓

Analogs

36159945
36159945
36159924
36159924
36159930
36159930
20532317
20532317
20532318
20532318

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Popular Name: N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[[3-(p-tolylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl N-[(1R,2S,3R)-2,3-dimethylcycloh…

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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) 6.74 17.29 -14.18 1 5 0 60 498.696 7 ↓

Analogs

36159924
36159924
36159930
36159930
36159935
36159935
20532317
20532317
20532318
20532318

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-[[3-(p-tolylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl N-[(1S,2S,3R)-2,3-dimethylcycloh…

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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) 6.74 16.87 -14.72 1 5 0 60 498.696 7 ↓

Analogs

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Popular Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-propylimidazo[5,4-b]pyridin-3-yl)-1-piperidyl]ethanone 2-(3,5-dimethylpyrazol-1-yl)-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) 2.02 -0.14 -21.31 0 7 0 69 380.496 5 ↓
Mid Mid (pH 6-8) 2.02 0.02 -46.23 1 7 1 70 381.504 5 ↓

Analogs

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Popular Name: 1-[4-[2-(cyclopentylmethyl)imidazo[5,4-b]pyridin-3-yl]-1-piperidyl]-2-(3,5-dimethylisoxazol-4-yl)eth 1-[4-[2-(cyclopentylmethyl)imida…

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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) 3.07 0.75 -21.31 0 7 0 77 421.545 5 ↓

Analogs

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Popular Name: 1-[4-(2-cyclobutylimidazo[5,4-b]pyridin-3-yl)-1-piperidyl]-3-(1H-indol-3-yl)propan-1-one 1-[4-(2-cyclobutylimidazo[5,4-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) 3.56 -1.34 -17.26 1 6 0 67 427.552 5 ↓

Analogs

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Popular Name: (2,3-dimethyl-1H-indol-7-yl)-[4-[2-(methoxymethyl)imidazo[5,4-b]pyridin-3-yl]-1-piperidyl]methanone (2,3-dimethyl-1H-indol-7-yl)-[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) 2.41 -1.89 -19.58 1 7 0 76 417.513 4 ↓

Analogs

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Popular Name: 2-(5-methylpyrazol-1-yl)-1-[4-(2-propylimidazo[5,4-b]pyridin-3-yl)-1-piperidyl]ethanone 2-(5-methylpyrazol-1-yl)-1-[4-(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) 1.80 -0.29 -22.66 0 7 0 69 366.469 5 ↓
Mid Mid (pH 6-8) 1.80 -0.13 -46.44 1 7 1 70 367.477 5 ↓

Analogs

12099810
12099810

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Popular Name: (3R)-6-methoxy-3-[2-oxo-2-[4-(2-propylimidazo[5,4-b]pyridin-3-yl)-1-piperidyl]ethyl]indolin-2-one (3R)-6-methoxy-3-[2-oxo-2-[4-(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) 2.39 11.16 -24.35 1 8 0 89 447.539 6 ↓
Mid Mid (pH 6-8) 2.39 -1.27 -46.68 2 8 1 91 448.547 6 ↓
Lo Low (pH 4.5-6) 2.39 -1.18 -43.33 2 8 1 91 448.547 6 ↓

Analogs

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Popular Name: 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidyl]-2-cyclobutyl-imidazo[5,4-b]pyridine 3-[1-(2,1,3-benzothiadiazol-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) 2.72 -7.54 -17.29 0 8 0 94 454.581 4 ↓

Analogs

9151224
9151224
9151253
9151253

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Popular Name: 4-[(3-benzylimidazo[5,4-b]pyridin-2-yl)sulfanylmethyl]-N-(2-pyridylmethyl)benzamide 4-[(3-benzylimidazo[5,4-b]pyridi…

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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) 4.13 13.34 -17.34 1 6 0 73 465.582 8 ↓
Lo Low (pH 4.5-6) 4.13 13.72 -49.84 2 6 1 74 466.59 8 ↓

Parameters Provided:

ring.id = 13894
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 = 13894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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