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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-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[methyl-[[(2S)-tetrahydropyran…

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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) 2.44 8.09 -12.02 0 5 0 47 273.336 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[methyl-[[(2R)-tetrahydropyran…

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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) 2.44 8.21 -10.94 0 5 0 47 273.336 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[methyl-[[(2S)-tetrahydropyran…

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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 7.77 -62.15 0 6 -1 70 288.327 4 ↓
Mid Mid (pH 6-8) 2.22 8.26 -44.96 1 6 0 71 289.335 4 ↓
Lo Low (pH 4.5-6) 2.22 8.7 -37.13 1 6 0 71 289.335 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[methyl-[[(2R)-tetrahydropyran…

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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 7.91 -59.85 0 6 -1 70 288.327 4 ↓
Mid Mid (pH 6-8) 2.22 8.38 -44.55 1 6 0 71 289.335 4 ↓
Lo Low (pH 4.5-6) 2.22 8.5 -37.9 1 6 0 71 289.335 4 ↓

Analogs

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Popular Name: [2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]imidazo[1,2-a]pyridin-3-yl]methanol [2-[methyl-[[(2S)-tetrahydropyra…

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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) 1.98 5.96 -13.67 1 5 0 50 275.352 4 ↓
Mid Mid (pH 6-8) 1.98 6.15 -24.12 2 5 1 51 276.36 4 ↓
Lo Low (pH 4.5-6) 1.98 5.74 -28.98 2 5 1 51 276.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]imidazo[1,2-a]pyridin-3-yl]methanol [2-[methyl-[[(2R)-tetrahydropyra…

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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) 1.98 5.89 -12.29 1 5 0 50 275.352 4 ↓
Mid Mid (pH 6-8) 1.98 6.3 -25.45 2 5 1 51 276.36 4 ↓
Lo Low (pH 4.5-6) 1.98 5.83 -29.55 2 5 1 51 276.36 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]imidazo[1,2-a]pyridin-2-amine 3-(chloromethyl)-N-methyl-N-[[(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) 3.22 9.63 -10.66 0 4 0 30 293.798 4 ↓
Lo Low (pH 4.5-6) 3.22 10.08 -24.37 1 4 1 31 294.806 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]imidazo[1,2-a]pyridin-2-amine 3-(chloromethyl)-N-methyl-N-[[(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) 3.22 9.56 -9.41 0 4 0 30 293.798 4 ↓
Lo Low (pH 4.5-6) 3.22 10.27 -25.92 1 4 1 31 294.806 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]imidazo[1,2-a]pyridin-2-amine 3-(aminomethyl)-N-methyl-N-[[(2S…

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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) 1.83 6.53 -52.09 3 5 1 57 275.376 4 ↓
Hi High (pH 8-9.5) 1.83 6.16 -10.75 2 5 0 56 274.368 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]imidazo[1,2-a]pyridin-2-amine 3-(aminomethyl)-N-methyl-N-[[(2R…

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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) 1.83 6.46 -49.28 3 5 1 57 275.376 4 ↓
Hi High (pH 8-9.5) 1.83 6.09 -9.03 2 5 0 56 274.368 4 ↓

Analogs

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

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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) 2.20 8.37 -48.67 2 5 1 46 289.403 5 ↓
Hi High (pH 8-9.5) 2.20 6.93 -9.1 1 5 0 42 288.395 5 ↓

Analogs

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

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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) 2.20 8.44 -47.57 2 5 1 46 289.403 5 ↓
Hi High (pH 8-9.5) 2.20 7.05 -9.58 1 5 0 42 288.395 5 ↓

Analogs

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Popular Name: 3-nitro-N-[[(2S)-tetrahydropyran-2-yl]methyl]imidazo[1,2-a]pyridin-2-amine 3-nitro-N-[[(2S)-tetrahydropyran…

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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 8.44 -11.13 1 7 0 84 276.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-N-[[(2R)-tetrahydropyran-2-yl]methyl]imidazo[1,2-a]pyridin-2-amine 3-nitro-N-[[(2R)-tetrahydropyran…

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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 8.49 -11.12 1 7 0 84 276.296 4 ↓

Parameters Provided:

ring.id = 541648
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 = 541648 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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