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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[(3R)-3-(dimethylamino)pyrroli…

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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) 1.70 8.27 -47.09 1 5 1 42 259.333 3 ↓
Mid Mid (pH 6-8) 1.70 5.89 -11.75 0 5 0 41 258.325 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[(3S)-3-(dimethylamino)pyrroli…

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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) 1.70 8.28 -48.8 1 5 1 42 259.333 3 ↓
Mid Mid (pH 6-8) 1.70 5.89 -11.44 0 5 0 41 258.325 3 ↓

Analogs

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Popular Name: [2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol [2-[(3R)-3-(dimethylamino)pyrrol…

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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) 1.25 5.93 -42.87 2 5 1 45 261.349 3 ↓
Hi High (pH 8-9.5) 1.25 3.52 -13.44 1 5 0 44 260.341 3 ↓
Mid Mid (pH 6-8) 1.25 6.6 -77.63 3 5 2 46 262.357 3 ↓

Analogs

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Popular Name: [2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol [2-[(3S)-3-(dimethylamino)pyrrol…

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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) 1.25 5.95 -46.53 2 5 1 45 261.349 3 ↓
Hi High (pH 8-9.5) 1.25 3.56 -12.93 1 5 0 44 260.341 3 ↓
Mid Mid (pH 6-8) 1.25 6.62 -77.92 3 5 2 46 262.357 3 ↓

Analogs

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Popular Name: [2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol [2-[(3R)-3-(diethylamino)pyrroli…

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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) 2.00 7 -40.38 2 5 1 45 289.403 5 ↓
Hi High (pH 8-9.5) 2.00 4.95 -12.93 1 5 0 44 288.395 5 ↓
Mid Mid (pH 6-8) 2.00 7.63 -76.35 3 5 2 46 290.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol [2-[(3S)-3-(diethylamino)pyrroli…

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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) 2.00 6.97 -43.69 2 5 1 45 289.403 5 ↓
Hi High (pH 8-9.5) 2.00 4.85 -12.46 1 5 0 44 288.395 5 ↓
Mid Mid (pH 6-8) 2.00 7.61 -76.42 3 5 2 46 290.411 5 ↓

Analogs

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Popular Name: (3R)-1-[3-(chloromethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[3-(chloromethyl)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) 2.49 9.71 -40.65 1 4 1 25 279.795 3 ↓
Mid Mid (pH 6-8) 2.49 7.3 -10.4 0 4 0 24 278.787 3 ↓
Lo Low (pH 4.5-6) 2.49 10.55 -78.03 2 4 2 26 280.803 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-(chloromethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(chloromethyl)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) 2.49 9.7 -42.82 1 4 1 25 279.795 3 ↓
Mid Mid (pH 6-8) 2.49 7.3 -10.06 0 4 0 24 278.787 3 ↓
Lo Low (pH 4.5-6) 2.49 10.55 -80.18 2 4 2 26 280.803 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-(chloromethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[3-(chloromethyl)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) 3.24 10.77 -38.22 1 4 1 25 307.849 5 ↓
Mid Mid (pH 6-8) 3.24 8.63 -9.93 0 4 0 24 306.841 5 ↓
Lo Low (pH 4.5-6) 3.24 11.57 -77.22 2 4 2 26 308.857 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-(chloromethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[3-(chloromethyl)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) 3.24 10.72 -40 1 4 1 25 307.849 5 ↓
Mid Mid (pH 6-8) 3.24 8.66 -9.06 0 4 0 24 306.841 5 ↓
Lo Low (pH 4.5-6) 3.24 11.56 -79.02 2 4 2 26 308.857 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-(ethylaminomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(ethylaminomethyl)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) 1.85 9.34 -94.67 3 5 2 42 289.427 5 ↓
Hi High (pH 8-9.5) 1.85 5.56 -9.36 1 5 0 36 287.411 5 ↓
Mid Mid (pH 6-8) 1.85 6.94 -46.31 2 5 1 40 288.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-(ethylaminomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[3-(ethylaminomethyl)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) 1.85 9.41 -95.29 3 5 2 42 289.427 5 ↓
Hi High (pH 8-9.5) 1.85 5.64 -9.82 1 5 0 36 287.411 5 ↓
Mid Mid (pH 6-8) 1.85 7 -46.4 2 5 1 40 288.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[3-(aminomethyl)imidazo[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) 1.10 6.59 -100.86 4 5 2 53 261.373 3 ↓
Hi High (pH 8-9.5) 1.10 3.79 -10.41 2 5 0 50 259.357 3 ↓
Mid Mid (pH 6-8) 1.10 4.17 -52.77 3 5 1 51 260.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(aminomethyl)imidazo[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) 1.10 6.6 -118.4 4 5 2 53 261.373 3 ↓
Hi High (pH 8-9.5) 1.10 3.82 -9.68 2 5 0 50 259.357 3 ↓
Mid Mid (pH 6-8) 1.10 4.22 -50.54 3 5 1 51 260.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[3-(methylam…

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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 8.47 -95.44 3 5 2 42 275.4 4 ↓
Hi High (pH 8-9.5) 1.47 4.63 -9.63 1 5 0 36 273.384 4 ↓
Mid Mid (pH 6-8) 1.47 6.07 -47.58 2 5 1 40 274.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,N-dimethyl-1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[3-(methylam…

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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 8.55 -96.11 3 5 2 42 275.4 4 ↓
Hi High (pH 8-9.5) 1.47 4.71 -10.09 1 5 0 36 273.384 4 ↓
Mid Mid (pH 6-8) 1.47 6.14 -47.69 2 5 1 40 274.392 4 ↓

Analogs

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Popular Name: (3R)-1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[3-(aminomethyl)imidazo[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) 1.85 7.63 -100.05 4 5 2 53 289.427 5 ↓
Hi High (pH 8-9.5) 1.85 5.13 -10.02 2 5 0 50 287.411 5 ↓
Mid Mid (pH 6-8) 1.85 5.61 -52.85 3 5 1 51 288.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[3-(aminomethyl)imidazo[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) 1.85 7.63 -116.96 4 5 2 53 289.427 5 ↓
Hi High (pH 8-9.5) 1.85 5.13 -8.88 2 5 0 50 287.411 5 ↓
Mid Mid (pH 6-8) 1.85 5.49 -50.11 3 5 1 51 288.419 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[(3R)-3-(diethylamino)pyrrolid…

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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) 2.46 9.31 -44.8 1 5 1 42 287.387 5 ↓
Mid Mid (pH 6-8) 2.46 7.21 -11.46 0 5 0 41 286.379 5 ↓

Analogs

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Popular Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[(3S)-3-(diethylamino)pyrrolid…

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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) 2.46 9.32 -46.2 1 5 1 42 287.387 5 ↓
Mid Mid (pH 6-8) 2.46 7.23 -10.77 0 5 0 41 286.379 5 ↓

Analogs

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Popular Name: (3S)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-ol (3S)-1-(3-nitroimidazo[1,2-a]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) 1.10 6.11 -14.5 1 7 0 87 248.242 2 ↓

Analogs

3887713
3887713

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic 2-[(3R)-3-methylpyrrolidin-1-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) 2.22 8.77 -32.97 1 5 0 62 245.282 2 ↓
Mid Mid (pH 6-8) 2.22 7.72 -63.08 0 5 -1 61 244.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic 2-[(3S)-3-methylpyrrolidin-1-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) 2.22 8.77 -32.68 1 5 0 62 245.282 2 ↓
Mid Mid (pH 6-8) 2.22 7.74 -63.18 0 5 -1 61 244.274 2 ↓

Analogs

42433153
42433153

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Popular Name: [2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol [2-[(2R)-2-(hydroxymethyl)pyrrol…

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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) 0.86 2.46 -13.35 2 5 0 61 247.298 3 ↓
Mid Mid (pH 6-8) 0.86 2.89 -26.99 3 5 1 62 248.306 3 ↓
Lo Low (pH 4.5-6) 0.86 2.88 -25.94 3 5 1 62 248.306 3 ↓

Analogs

42433152
42433152

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol [2-[(2S)-2-(hydroxymethyl)pyrrol…

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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) 0.86 2.32 -13.95 2 5 0 61 247.298 3 ↓
Mid Mid (pH 6-8) 0.86 2.75 -27.63 3 5 1 62 248.306 3 ↓
Lo Low (pH 4.5-6) 0.86 2.89 -25.5 3 5 1 62 248.306 3 ↓

Parameters Provided:

ring.id = 322228
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 = 322228 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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