UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33817881
33817881

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Popular Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyrazin-2-yl-1-piperidyl)methyl] (2R)-3-cyclobutyl-2-[(3S,4S)-3-(…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCR5-1-E C-C Chemokine Receptor Type 5 (cluster #1 Of 4), Eukaryotic Eukaryotes 29 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CCR5_HUMAN P51681 C-C Chemokine Receptor Type 5, Human 28.9734359 0.29 Binding ≤ 1μM
CCR5_HUMAN P51681 C-C Chemokine Receptor Type 5, Human 28.9734359 0.29 Binding ≤ 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) 2.60 16.23 -98.65 2 7 1 79 506.646 8 ↓
Hi High (pH 8-9.5) 2.60 14.01 -45.22 1 7 0 78 505.638 8 ↓
Mid Mid (pH 6-8) 2.60 14.85 -84.07 1 7 0 78 505.638 8 ↓

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-(p-tolyl)imidazo[1,2-a]pyrazin-3-amine N-(3-chloro-2-methyl-phenyl)-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) 5.67 11.98 -7.57 1 4 0 42 348.837 3 ↓
Lo Low (pH 4.5-6) 5.67 12.34 -29.53 2 4 1 43 349.845 3 ↓

Analogs

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Popular Name: 4-[3-(3-chloro-2-methyl-anilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxy-phenol 4-[3-(3-chloro-2-methyl-anilino)…

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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) 4.56 8.44 -10.08 2 6 0 72 380.835 4 ↓
Mid Mid (pH 6-8) 4.56 8.77 -35.97 3 6 1 73 381.843 4 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine N-(3,5-dimethylphenyl)-2-(4-meth…

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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) 5.07 10.72 -8.84 1 5 0 51 344.418 4 ↓
Lo Low (pH 4.5-6) 5.07 11.09 -30.38 2 5 1 53 345.426 4 ↓

Analogs

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Popular Name: 2-(5-bromo-2-methyl-phenyl)-N-(3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine 2-(5-bromo-2-methyl-phenyl)-N-(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) 6.20 12.62 -6.87 1 4 0 42 407.315 3 ↓

Analogs

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Popular Name: 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic 4-[3-(3,5-dimethylanilino)imidaz…

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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) 4.92 11.96 -52.16 1 6 -1 82 357.393 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-(4-dimethylaminophenyl)imidazo[1,2-a]pyrazin-3-amine N-(3-chloro-4-methyl-phenyl)-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) 5.35 11.58 -9.36 1 5 0 45 377.879 4 ↓

Analogs

4597403
4597403

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Popular Name: N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine N-(2,3-dimethylphenyl)-2-(4-meth…

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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) 5.05 10.73 -8.95 1 5 0 51 344.418 4 ↓
Lo Low (pH 4.5-6) 5.05 11.05 -30.53 2 5 1 53 345.426 4 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine 2-(3,4-dimethoxyphenyl)-N-(2,3-d…

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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 10.62 -10.13 1 6 0 61 374.444 5 ↓
Lo Low (pH 4.5-6) 4.64 10.97 -32.24 2 6 1 62 375.452 5 ↓

Analogs

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Popular Name: 4-[3-(2,3-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic 4-[3-(2,3-dimethylanilino)imidaz…

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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) 4.90 11.95 -50.71 1 6 -1 82 357.393 4 ↓

Analogs

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Popular Name: 4-[3-(2,3-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxy-phenol 4-[3-(2,3-dimethylanilino)imidaz…

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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) 4.33 8.56 -9.86 2 6 0 72 360.417 4 ↓
Mid Mid (pH 6-8) 4.33 8.91 -32.51 3 6 1 73 361.425 4 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine N-(2-methoxyphenyl)-2-(4-methyls…

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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) 4.63 10.52 -8.48 1 5 0 51 362.458 5 ↓

Analogs

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Popular Name: 4-bromo-2-[3-(2-methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]phenol 4-bromo-2-[3-(2-methoxyanilino)i…

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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) 4.71 7.99 -8.61 2 6 0 72 411.259 4 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine 2-(4-chlorophenyl)-N-(2,4-dimeth…

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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) 5.69 12.1 -6.21 1 4 0 42 348.837 3 ↓

Analogs

15414016
15414016

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Popular Name: methyl 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) 5.18 12.17 -9.89 1 6 0 69 372.428 5 ↓

Analogs

200594
200594
4597384
4597384

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Popular Name: 2-(4-dimethylaminophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine 2-(4-dimethylaminophenyl)-N-(2,4…

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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) 5.12 11.99 -8 1 5 0 45 357.461 4 ↓

Analogs

35477281
35477281

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Popular Name: 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine 2-(1,3-benzodioxol-5-yl)-N-(2,4-…

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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) 4.90 10.23 -8.87 1 6 0 61 358.401 3 ↓
Lo Low (pH 4.5-6) 4.90 10.55 -31.5 2 6 1 62 359.409 3 ↓

Analogs

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Popular Name: methyl 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) 4.14 9.88 -12.31 1 8 0 87 404.426 7 ↓
Lo Low (pH 4.5-6) 4.14 10.3 -33.66 2 8 1 88 405.434 7 ↓

Analogs

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Popular Name: 3-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]phenol 3-[3-(4-ethoxyanilino)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) 4.12 7.44 -10.85 2 6 0 72 346.39 5 ↓

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine N-(2-bromo-4-methyl-phenyl)-2-(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) 5.81 12.48 -7.02 1 4 0 42 425.355 4 ↓

Analogs

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Popular Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrazin-2-yl]-2,6-dimethoxy-phenol 3-[3-(2,3-dihydro-1,4-benzodioxi…

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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 7 -13.88 2 9 0 99 420.425 5 ↓
Lo Low (pH 4.5-6) 3.25 6.65 -36.74 3 9 1 101 421.433 5 ↓

Analogs

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Popular Name: 2,6-ditert-butyl-4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol 2,6-ditert-butyl-4-[3-(2,6-dimet…

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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) 8.04 13.84 -7.82 2 5 0 62 442.607 5 ↓
Mid Mid (pH 6-8) 8.04 14.21 -26.69 3 5 1 64 443.615 5 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-(4-isopropylphenyl)imidazo[1,2-a]pyrazin-3-amine 2-(3,4-dimethoxyphenyl)-N-(4-iso…

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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) 5.35 11.21 -9.9 1 6 0 61 388.471 6 ↓
Lo Low (pH 4.5-6) 5.35 11.44 -32.35 2 6 1 62 389.479 6 ↓

Analogs

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Popular Name: 2-(4-dimethylaminophenyl)-N-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine 2-(4-dimethylaminophenyl)-N-(2,3…

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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) 5.09 11.82 -8.31 1 5 0 45 357.461 4 ↓

Analogs

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Popular Name: 2-(4-dimethylaminophenyl)-N-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-amine 2-(4-dimethylaminophenyl)-N-(4-f…

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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) 4.45 10.58 -9.8 1 5 0 45 347.397 4 ↓

Analogs

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Popular Name: 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxy-phenol 4-[3-(3,5-dimethylanilino)imidaz…

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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) 4.35 8.57 -10.79 2 6 0 72 360.417 4 ↓
Mid Mid (pH 6-8) 4.35 8.93 -33.48 3 6 1 73 361.425 4 ↓

Analogs

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Popular Name: 3-[3-(3-chloro-4-methyl-anilino)imidazo[1,2-a]pyrazin-2-yl]phenol 3-[3-(3-chloro-4-methyl-anilino)…

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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) 4.74 8.24 -10.76 2 5 0 62 350.809 3 ↓

Analogs

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Popular Name: 2-[3-(3-chloro-4-methyl-anilino)imidazo[1,2-a]pyrazin-2-yl]phenol 2-[3-(3-chloro-4-methyl-anilino)…

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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) 4.97 8.92 -11.16 2 5 0 62 350.809 3 ↓

Analogs

4597403
4597403

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Popular Name: 4-[3-(2,3-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol 4-[3-(2,3-dimethylanilino)imidaz…

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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) 4.51 8.57 -9.48 2 5 0 62 330.391 3 ↓
Mid Mid (pH 6-8) 4.51 8.9 -30.98 3 5 1 64 331.399 3 ↓

Analogs

4597403
4597403
7498955
7498955

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Popular Name: 3-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol 3-[3-(2-methylanilino)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) 4.09 8 -10.47 2 5 0 62 316.364 3 ↓

Analogs

35477281
35477281

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Popular Name: 2-(1,3-benzodioxol-5-yl)-N-(o-tolyl)imidazo[1,2-a]pyrazin-3-amine 2-(1,3-benzodioxol-5-yl)-N-(o-to…

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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 9.51 -10.8 1 6 0 61 344.374 3 ↓
Lo Low (pH 4.5-6) 4.48 9.85 -33.34 2 6 1 62 345.382 3 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine 2-(4-chlorophenyl)-N-(2,3-dimeth…

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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) 5.67 11.95 -7.5 1 4 0 42 348.837 3 ↓

Analogs

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Popular Name: methyl 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) 4.93 11.97 -12.63 1 6 0 69 390.468 6 ↓

Analogs

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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) 4.60 8.99 -11.79 2 7 0 89 374.4 6 ↓

Analogs

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Popular Name: 4-[3-(4-fluoroanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxy-phenol 4-[3-(4-fluoroanilino)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) 3.69 7.3 -11.87 2 6 0 72 350.353 4 ↓
Mid Mid (pH 6-8) 3.69 7.49 -36.27 3 6 1 73 351.361 4 ↓

Analogs

4597403
4597403

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Popular Name: N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine N-(2,4-dimethylphenyl)-2-(4-meth…

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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) 5.07 10.88 -7.73 1 5 0 51 344.418 4 ↓
Lo Low (pH 4.5-6) 5.07 11.19 -29.54 2 5 1 53 345.426 4 ↓

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2-(4-dimethylaminophenyl)imidazo[1,2-a]pyrazin-3-amine N-(2-bromo-4-methyl-phenyl)-2-(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) 5.48 11.88 -7.65 1 5 0 45 422.33 4 ↓

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2-(p-tolyl)imidazo[1,2-a]pyrazin-3-amine N-(2-bromo-4-methyl-phenyl)-2-(p…

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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) 5.82 12.14 -7.12 1 4 0 42 393.288 3 ↓
Lo Low (pH 4.5-6) 5.82 12.43 -27.71 2 4 1 43 394.296 3 ↓

Analogs

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Popular Name: 4-[3-(2-bromo-4-methyl-anilino)imidazo[1,2-a]pyrazin-2-yl]benzoic 4-[3-(2-bromo-4-methyl-anilino)i…

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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) 5.28 12 -51 1 6 -1 82 422.262 4 ↓

Analogs

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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) 3.85 9.58 -10.74 1 7 0 82 348.362 6 ↓

Analogs

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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) 4.81 12.1 -10.43 1 7 0 72 401.47 7 ↓

Analogs

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Popular Name: 4-bromo-2-[3-(4-bromoanilino)imidazo[1,2-a]pyrazin-2-yl]phenol 4-bromo-2-[3-(4-bromoanilino)imi…

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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) 5.52 9.12 -8.21 2 5 0 62 460.129 3 ↓

Analogs

7498955
7498955

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Popular Name: 3-[3-(2,4-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol 3-[3-(2,4-dimethylanilino)imidaz…

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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) 4.51 8.66 -10.5 2 5 0 62 330.391 3 ↓

Analogs

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Popular Name: 4-bromo-2-[3-(3-bromo-4-methyl-anilino)imidazo[1,2-a]pyrazin-2-yl]phenol 4-bromo-2-[3-(3-bromo-4-methyl-a…

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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) 5.89 9.68 -9.41 2 5 0 62 474.156 3 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine 2-(3,4-dimethoxyphenyl)-N-(4-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) 3.89 8.58 -13.19 1 7 0 70 376.416 6 ↓
Lo Low (pH 4.5-6) 3.89 8.96 -35.87 2 7 1 71 377.424 6 ↓

Analogs

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Popular Name: methyl 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) 5.04 11.23 -10.27 1 6 0 69 378.819 5 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine N-(4-chlorophenyl)-2-(3,4-dimeth…

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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) 4.51 9.81 -11.81 1 6 0 61 380.835 5 ↓
Lo Low (pH 4.5-6) 4.51 10.15 -36.68 2 6 1 62 381.843 5 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-amine N-(4-chlorophenyl)-2-(4-fluoroph…

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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) 5.03 10.67 -8.09 1 4 0 42 338.773 3 ↓

Analogs

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Popular Name: 6-phenyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine 6-phenyl-3-(1H-pyrazol-4-yl)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) 2.06 6.71 -11.72 1 5 0 59 261.288 2 ↓

Analogs

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Popular Name: [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-1-piperidyl]-(5-isopropylisoxazol-3-yl)methanone [4-[3-(tert-butylamino)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) 3.24 9 -14.6 1 8 0 89 410.522 5 ↓
Lo Low (pH 4.5-6) 3.24 9.9 -111.85 3 8 2 94 412.538 5 ↓
Lo Low (pH 4.5-6) 3.24 9.42 -33.93 2 8 1 90 411.53 5 ↓

Parameters Provided:

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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 = 13782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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