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

Draw Identity 99% 90% 80% 70%

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) 1.49 5 -9.23 1 4 0 55 194.234 3 ↓
Lo Low (pH 4.5-6) 1.49 5.43 -31.69 2 4 1 56 195.242 3 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-propyl-imidazole-1,5-diamine 2-cyclopentyl-4-propyl-imidazole…

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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) 1.77 5.58 -24.27 5 4 1 71 209.317 3 ↓
Hi High (pH 8-9.5) 1.77 5.03 -6.72 4 4 0 70 208.309 3 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-isobutyl-imidazole-1,5-diamine 2-cyclopentyl-4-isobutyl-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) 2.01 5.97 -24.41 5 4 1 71 223.344 3 ↓
Hi High (pH 8-9.5) 2.01 5.35 -6.55 4 4 0 70 222.336 3 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-methyl-imidazole-1,5-diamine 2-cyclopentyl-4-methyl-imidazole…

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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) 0.70 4.09 -24.1 5 4 1 71 181.263 1 ↓
Hi High (pH 8-9.5) 0.70 3.53 -7.12 4 4 0 70 180.255 1 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-ethyl-imidazole-1,5-diamine 2-cyclopentyl-4-ethyl-imidazole-…

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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) 1.27 4.81 -24.01 5 4 1 71 195.29 2 ↓
Hi High (pH 8-9.5) 1.27 4.26 -6.84 4 4 0 70 194.282 2 ↓

Analogs

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Popular Name: 4-butyl-2-cyclopentyl-imidazole-1,5-diamine 4-butyl-2-cyclopentyl-imidazole-…

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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) 2.33 6.36 -24.59 5 4 1 71 223.344 4 ↓
Hi High (pH 8-9.5) 2.33 5.82 -6.61 4 4 0 70 222.336 4 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-isopropyl-imidazole-1,5-diamine 2-cyclopentyl-4-isopropyl-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) 1.75 5.41 -23.65 5 4 1 71 209.317 2 ↓
Hi High (pH 8-9.5) 1.75 4.85 -6.33 4 4 0 70 208.309 2 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-(2-methylsulfanylethyl)imidazole-1,5-diamine 2-cyclopentyl-4-(2-methylsulfany…

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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) 1.42 6.04 -26.36 5 4 1 71 241.384 4 ↓
Hi High (pH 8-9.5) 1.42 5.49 -6.99 4 4 0 70 240.376 4 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-(1-ethylpropyl)imidazole-1,5-diamine 2-cyclopentyl-4-(1-ethylpropyl)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) 2.44 6.67 -23.91 5 4 1 71 237.371 4 ↓
Hi High (pH 8-9.5) 2.44 6.11 -5.96 4 4 0 70 236.363 4 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-hexyl-imidazole-1,5-diamine 2-cyclopentyl-4-hexyl-imidazole-…

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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 7.93 -24.83 5 4 1 71 251.398 6 ↓
Hi High (pH 8-9.5) 3.34 7.38 -6.54 4 4 0 70 250.39 6 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-[(1R)-1-methylpropyl]imidazole-1,5-diamine 2-cyclopentyl-4-[(1R)-1-methylpr…

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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) 2.10 6.13 -24.06 5 4 1 71 223.344 3 ↓
Hi High (pH 8-9.5) 2.10 5.59 -6.17 4 4 0 70 222.336 3 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-[(1S)-1-methylpropyl]imidazole-1,5-diamine 2-cyclopentyl-4-[(1S)-1-methylpr…

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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) 2.10 6.13 -24.09 5 4 1 71 223.344 3 ↓
Hi High (pH 8-9.5) 2.10 5.59 -6.13 4 4 0 70 222.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-4-[(1R)-1-methylbutyl]imidazole-1,5-diamine 2-cyclopentyl-4-[(1R)-1-methylbu…

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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) 2.65 6.82 -24.16 5 4 1 71 237.371 4 ↓
Hi High (pH 8-9.5) 2.65 6.26 -6.21 4 4 0 70 236.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-4-[(1S)-1-methylbutyl]imidazole-1,5-diamine 2-cyclopentyl-4-[(1S)-1-methylbu…

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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) 2.65 6.88 -24.29 5 4 1 71 237.371 4 ↓
Hi High (pH 8-9.5) 2.65 6.36 -6.03 4 4 0 70 236.363 4 ↓

Analogs

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Popular Name: 4-tert-butyl-2-cyclopentyl-imidazole-1,5-diamine 4-tert-butyl-2-cyclopentyl-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) 2.42 6.08 -23.23 5 4 1 71 223.344 2 ↓
Hi High (pH 8-9.5) 2.42 5.54 -6.36 4 4 0 70 222.336 2 ↓

Analogs

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Popular Name: 2-cyclopentyl-4-pentyl-imidazole-1,5-diamine 2-cyclopentyl-4-pentyl-imidazole…

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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) 2.84 7.15 -24.7 5 4 1 71 237.371 5 ↓
Hi High (pH 8-9.5) 2.84 6.6 -6.57 4 4 0 70 236.363 5 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-propylimidazol-2-yl)cyclopentanol (1S,2S)-2-(1-propylimidazol-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) 1.21 5.56 -24.05 2 3 1 39 195.286 3 ↓
Mid Mid (pH 6-8) 1.21 4.59 -8.39 1 3 0 38 194.278 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-propylimidazol-2-yl)cyclopentanol (1S,2R)-2-(1-propylimidazol-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) 1.21 4.93 -27.17 2 3 1 39 195.286 3 ↓
Mid Mid (pH 6-8) 1.21 4.35 -6.7 1 3 0 38 194.278 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-propylimidazol-2-yl)cyclopentanol (1R,2S)-2-(1-propylimidazol-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) 1.21 4.82 -27.41 2 3 1 39 195.286 3 ↓
Mid Mid (pH 6-8) 1.21 4.25 -6.26 1 3 0 38 194.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(1-propylimidazol-2-yl)cyclopentanol (1R,2R)-2-(1-propylimidazol-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) 1.21 4.81 -24.97 2 3 1 39 195.286 3 ↓
Mid Mid (pH 6-8) 1.21 4.83 -8.54 1 3 0 38 194.278 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-ethylimidazol-2-yl)cyclopentanol (1S,2S)-2-(1-ethylimidazol-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) 0.71 4.8 -24.08 2 3 1 39 181.259 2 ↓
Mid Mid (pH 6-8) 0.71 3.83 -8.86 1 3 0 38 180.251 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-ethylimidazol-2-yl)cyclopentanol (1S,2R)-2-(1-ethylimidazol-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) 0.71 4.18 -27.08 2 3 1 39 181.259 2 ↓
Mid Mid (pH 6-8) 0.71 3.6 -6.99 1 3 0 38 180.251 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-ethylimidazol-2-yl)cyclopentanol (1R,2S)-2-(1-ethylimidazol-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) 0.71 4.06 -27.29 2 3 1 39 181.259 2 ↓
Mid Mid (pH 6-8) 0.71 3.49 -6.66 1 3 0 38 180.251 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-ethylimidazol-2-yl)cyclopentanol (1R,2R)-2-(1-ethylimidazol-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) 0.71 4.06 -24.97 2 3 1 39 181.259 2 ↓
Mid Mid (pH 6-8) 0.71 4.09 -8.99 1 3 0 38 180.251 2 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-chlorocyclopentyl]-1-ethyl-imidazole 2-[(1S,2S)-2-chlorocyclopentyl]-…

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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 7.48 -25.8 1 2 1 19 199.705 2 ↓
Mid Mid (pH 6-8) 1.94 7.39 -7.54 0 2 0 18 198.697 2 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-chlorocyclopentyl]-1-ethyl-imidazole 2-[(1R,2S)-2-chlorocyclopentyl]-…

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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 8.02 -27.94 1 2 1 19 199.705 2 ↓
Mid Mid (pH 6-8) 1.94 7.37 -5.56 0 2 0 18 198.697 2 ↓

Analogs

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Popular Name: 2-[(1S,2R)-2-chlorocyclopentyl]-1-ethyl-imidazole 2-[(1S,2R)-2-chlorocyclopentyl]-…

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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 7.9 -28.24 1 2 1 19 199.705 2 ↓
Mid Mid (pH 6-8) 1.94 7.33 -5.14 0 2 0 18 198.697 2 ↓

Analogs

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Popular Name: 2-[(1R,2R)-2-chlorocyclopentyl]-1-ethyl-imidazole 2-[(1R,2R)-2-chlorocyclopentyl]-…

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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 7.68 -26.28 1 2 1 19 199.705 2 ↓
Mid Mid (pH 6-8) 1.94 7.73 -7.66 0 2 0 18 198.697 2 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-chlorocyclopentyl]-1-propyl-imidazole 2-[(1S,2S)-2-chlorocyclopentyl]-…

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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) 2.45 8.23 -25.86 1 2 1 19 213.732 3 ↓
Mid Mid (pH 6-8) 2.45 8.15 -7.09 0 2 0 18 212.724 3 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-chlorocyclopentyl]-1-propyl-imidazole 2-[(1R,2S)-2-chlorocyclopentyl]-…

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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) 2.45 8.78 -28.06 1 2 1 19 213.732 3 ↓
Mid Mid (pH 6-8) 2.45 8.12 -5.26 0 2 0 18 212.724 3 ↓

Analogs

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Popular Name: 2-[(1S,2R)-2-chlorocyclopentyl]-1-propyl-imidazole 2-[(1S,2R)-2-chlorocyclopentyl]-…

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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) 2.45 8.66 -28.37 1 2 1 19 213.732 3 ↓
Mid Mid (pH 6-8) 2.45 8.08 -4.74 0 2 0 18 212.724 3 ↓

Analogs

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Popular Name: 2-[(1R,2R)-2-chlorocyclopentyl]-1-propyl-imidazole 2-[(1R,2R)-2-chlorocyclopentyl]-…

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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) 2.45 8.43 -26.29 1 2 1 19 213.732 3 ↓
Mid Mid (pH 6-8) 2.45 8.48 -7.28 0 2 0 18 212.724 3 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-bromocyclopentyl]-1-ethyl-imidazole 2-[(1S,2S)-2-bromocyclopentyl]-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) 2.08 7.54 -25.71 1 2 1 19 244.156 2 ↓
Mid Mid (pH 6-8) 2.08 7.52 -6.84 0 2 0 18 243.148 2 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-bromocyclopentyl]-1-ethyl-imidazole 2-[(1R,2S)-2-bromocyclopentyl]-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) 2.08 8.12 -27.84 1 2 1 19 244.156 2 ↓
Mid Mid (pH 6-8) 2.08 7.42 -5.37 0 2 0 18 243.148 2 ↓

Analogs

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Popular Name: 2-[(1S,2R)-2-bromocyclopentyl]-1-ethyl-imidazole 2-[(1S,2R)-2-bromocyclopentyl]-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) 2.08 8 -28.1 1 2 1 19 244.156 2 ↓
Mid Mid (pH 6-8) 2.08 7.43 -5.04 0 2 0 18 243.148 2 ↓

Analogs

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Popular Name: 2-[(1R,2R)-2-bromocyclopentyl]-1-ethyl-imidazole 2-[(1R,2R)-2-bromocyclopentyl]-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) 2.08 7.78 -26.22 1 2 1 19 244.156 2 ↓
Mid Mid (pH 6-8) 2.08 7.93 -6.93 0 2 0 18 243.148 2 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-bromocyclopentyl]-1-propyl-imidazole 2-[(1S,2S)-2-bromocyclopentyl]-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) 2.58 8.29 -25.76 1 2 1 19 258.183 3 ↓
Mid Mid (pH 6-8) 2.58 8.28 -6.46 0 2 0 18 257.175 3 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-bromocyclopentyl]-1-propyl-imidazole 2-[(1R,2S)-2-bromocyclopentyl]-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) 2.58 8.88 -27.97 1 2 1 19 258.183 3 ↓
Mid Mid (pH 6-8) 2.58 8.17 -5.08 0 2 0 18 257.175 3 ↓

Analogs

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Popular Name: 2-[(1S,2R)-2-bromocyclopentyl]-1-propyl-imidazole 2-[(1S,2R)-2-bromocyclopentyl]-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) 2.58 8.76 -28.22 1 2 1 19 258.183 3 ↓
Mid Mid (pH 6-8) 2.58 8.19 -4.64 0 2 0 18 257.175 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2R)-2-bromocyclopentyl]-1-propyl-imidazole 2-[(1R,2R)-2-bromocyclopentyl]-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) 2.58 8.55 -26.21 1 2 1 19 258.183 3 ↓
Mid Mid (pH 6-8) 2.58 8.68 -6.53 0 2 0 18 257.175 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-propylimidazol-2-yl)cyclopentanamine (1S,2R)-2-(1-propylimidazol-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) 0.72 5.47 -100.01 4 3 2 47 195.31 3 ↓
Mid Mid (pH 6-8) 0.72 5.35 -34.35 3 3 1 45 194.302 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-propylimidazol-2-yl)cyclopentanamine (1S,2S)-2-(1-propylimidazol-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) 0.72 5.52 -99.81 4 3 2 47 195.31 3 ↓
Mid Mid (pH 6-8) 0.72 4.99 -45.38 3 3 1 45 194.302 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-propylimidazol-2-yl)cyclopentanamine (1R,2R)-2-(1-propylimidazol-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) 0.72 5.43 -99.45 4 3 2 47 195.31 3 ↓
Mid Mid (pH 6-8) 0.72 4.87 -48.58 3 3 1 45 194.302 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-propylimidazol-2-yl)cyclopentanamine (1R,2S)-2-(1-propylimidazol-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) 0.72 5.51 -97.54 4 3 2 47 195.31 3 ↓
Mid Mid (pH 6-8) 0.72 5.35 -33.84 3 3 1 45 194.302 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-ethylimidazol-2-yl)cyclopentanamine (1S,2R)-2-(1-ethylimidazol-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) 0.22 4.71 -99.03 4 3 2 47 181.283 2 ↓
Mid Mid (pH 6-8) 0.22 4.59 -34.37 3 3 1 45 180.275 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-ethylimidazol-2-yl)cyclopentanamine (1S,2S)-2-(1-ethylimidazol-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) 0.22 4.77 -98.65 4 3 2 47 181.283 2 ↓
Mid Mid (pH 6-8) 0.22 4.24 -45.62 3 3 1 45 180.275 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-ethylimidazol-2-yl)cyclopentanamine (1R,2R)-2-(1-ethylimidazol-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) 0.22 4.67 -98.63 4 3 2 47 181.283 2 ↓
Mid Mid (pH 6-8) 0.22 4.11 -48.62 3 3 1 45 180.275 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-ethylimidazol-2-yl)cyclopentanamine (1R,2S)-2-(1-ethylimidazol-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) 0.22 4.76 -96.27 4 3 2 47 181.283 2 ↓
Mid Mid (pH 6-8) 0.22 4.6 -33.81 3 3 1 45 180.275 2 ↓

Analogs

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Popular Name: (1S,2R)-N-methyl-2-(1-propylimidazol-2-yl)cyclopentanamine (1S,2R)-N-methyl-2-(1-propylimid…

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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) 1.63 7.37 -94.33 3 3 2 36 209.337 4 ↓
Mid Mid (pH 6-8) 1.63 7.22 -30.54 2 3 1 34 208.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-(1-propylimidazol-2-yl)cyclopentanamine (1S,2S)-N-methyl-2-(1-propylimid…

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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) 1.63 7.2 -93.22 3 3 2 36 209.337 4 ↓
Mid Mid (pH 6-8) 1.63 6.63 -42.19 2 3 1 34 208.329 4 ↓

Parameters Provided:

ring.id = 17938
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 = 17938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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