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Analogs

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Popular Name: 2-(3-methyl-2-pyridyl)-1H-imidazole-4-carboxylic 2-(3-methyl-2-pyridyl)-1H-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) 1.11 4.83 -55.26 1 5 -1 82 202.193 2 ↓

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) 0.97 3.72 -7.97 1 5 0 68 203.201 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) 1.37 4.87 -7.61 1 5 0 68 217.228 3 ↓

Analogs

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Popular Name: 2-[2-(2-pyridyl)-1H-imidazol-4-yl]ethanamine 2-[2-(2-pyridyl)-1H-imidazol-4-y…

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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) 0.12 1.89 -46.03 4 4 1 69 189.242 3 ↓

Analogs

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Popular Name: 3-[2-(2-pyridyl)imidazol-1-yl]propan-1-ol 3-[2-(2-pyridyl)imidazol-1-yl]pr…

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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) 0.60 3.72 -10.91 1 4 0 51 203.245 4 ↓
Lo Low (pH 4.5-6) 0.60 4.11 -30.39 2 4 1 52 204.253 4 ↓

Analogs

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Popular Name: [2-(3-methyl-2-pyridyl)-1H-imidazol-4-yl]methanamine [2-(3-methyl-2-pyridyl)-1H-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) 0.72 2.25 -44.98 4 4 1 69 189.242 2 ↓
Hi High (pH 8-9.5) 0.72 1.84 -7.36 3 4 0 68 188.234 2 ↓
Hi High (pH 8-9.5) 0.72 1.79 -45.02 3 4 0 68 188.234 2 ↓

Analogs

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Popular Name: [2-(2-pyridyl)-1H-imidazol-4-yl]methanamine [2-(2-pyridyl)-1H-imidazol-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) 0.32 1.13 -44.79 4 4 1 69 175.215 2 ↓
Hi High (pH 8-9.5) 0.32 0.71 -7.81 3 4 0 68 174.207 2 ↓
Hi High (pH 8-9.5) 0.32 0.7 -43.08 3 4 0 68 174.207 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(3-methyl-2-pyridyl)-1H-imidazol-4-yl]methanamine N-methyl-1-[2-(3-methyl-2-pyridy…

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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) 1.09 4.12 -39.84 3 4 1 58 203.269 3 ↓
Hi High (pH 8-9.5) 1.09 2.67 -8.01 2 4 0 54 202.261 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-(2-pyridyl)-1H-imidazol-4-yl]methanamine N-methyl-1-[2-(2-pyridyl)-1H-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) 0.69 3 -39.66 3 4 1 58 189.242 3 ↓
Hi High (pH 8-9.5) 0.69 1.55 -7.47 2 4 0 54 188.234 3 ↓

Analogs

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Popular Name: N-[[2-(3-methyl-2-pyridyl)-1H-imidazol-4-yl]methyl]ethanamine N-[[2-(3-methyl-2-pyridyl)-1H-im…

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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 4.98 -39.11 3 4 1 58 217.296 4 ↓
Hi High (pH 8-9.5) 1.47 3.6 -6.68 2 4 0 54 216.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-pyridyl)-1H-imidazol-4-yl]methyl]ethanamine N-[[2-(2-pyridyl)-1H-imidazol-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) 1.07 3.86 -38.84 3 4 1 58 203.269 4 ↓
Hi High (pH 8-9.5) 1.07 2.48 -7.23 2 4 0 54 202.261 4 ↓

Analogs

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Popular Name: N-[[2-(3-methyl-2-pyridyl)-1H-imidazol-4-yl]methyl]propan-1-amine N-[[2-(3-methyl-2-pyridyl)-1H-im…

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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) 1.97 5.73 -39.85 3 4 1 58 231.323 5 ↓
Hi High (pH 8-9.5) 1.97 4.36 -6.54 2 4 0 54 230.315 5 ↓
Hi High (pH 8-9.5) 1.97 5.28 -38.64 2 4 0 56 230.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-pyridyl)-1H-imidazol-4-yl]methyl]propan-1-amine N-[[2-(2-pyridyl)-1H-imidazol-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) 1.57 4.62 -39.63 3 4 1 58 217.296 5 ↓
Hi High (pH 8-9.5) 1.57 3.25 -7.09 2 4 0 54 216.288 5 ↓
Hi High (pH 8-9.5) 1.57 4.19 -36.82 2 4 0 56 216.288 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3-methyl-2-pyridyl)-1H-imidazol-4-yl]methyl]propan-2-amine N-[[2-(3-methyl-2-pyridyl)-1H-im…

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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 5.5 -37.34 3 4 1 58 231.323 4 ↓
Hi High (pH 8-9.5) 1.77 4.29 -7.54 2 4 0 54 230.315 4 ↓
Hi High (pH 8-9.5) 1.77 5.04 -36.86 2 4 0 56 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-pyridyl)-1H-imidazol-4-yl]methyl]propan-2-amine N-[[2-(2-pyridyl)-1H-imidazol-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) 1.37 4.39 -37.64 3 4 1 58 217.296 4 ↓
Hi High (pH 8-9.5) 1.37 3.18 -7.04 2 4 0 54 216.288 4 ↓
Hi High (pH 8-9.5) 1.37 3.96 -35.61 2 4 0 56 216.288 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(3-methyl-2-pyridyl)-1H-imidazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-(3-methyl-2-pyrid…

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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) 2.28 5.93 -35.86 3 4 1 58 245.35 4 ↓
Hi High (pH 8-9.5) 2.28 4.68 -7.4 2 4 0 54 244.342 4 ↓
Hi High (pH 8-9.5) 2.28 5.46 -35.26 2 4 0 56 244.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(2-pyridyl)-1H-imidazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-(2-pyridyl)-1H-im…

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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) 1.88 4.81 -35.7 3 4 1 58 231.323 4 ↓
Hi High (pH 8-9.5) 1.88 3.56 -6.92 2 4 0 54 230.315 4 ↓
Hi High (pH 8-9.5) 1.88 4.38 -33.66 2 4 0 56 230.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(3-methyl-2-pyridyl)-1H-imidazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-(3-methyl-2-pyrid…

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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 6.42 -39.96 3 4 1 58 245.35 5 ↓
Hi High (pH 8-9.5) 2.22 5.97 -38 2 4 0 56 244.342 5 ↓
Hi High (pH 8-9.5) 2.22 5.19 -6.28 2 4 0 54 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(2-pyridyl)-1H-imidazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-(2-pyridyl)-1H-im…

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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) 1.82 5.31 -39.44 3 4 1 58 231.323 5 ↓
Hi High (pH 8-9.5) 1.82 4.88 -36.08 2 4 0 56 230.315 5 ↓
Hi High (pH 8-9.5) 1.82 3.92 -6.88 2 4 0 54 230.315 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(3-methyl-2-pyridyl)-1H-imidazol-4-yl]methyl]ethanamine 2-methoxy-N-[[2-(3-methyl-2-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) 1.08 4.11 -40.28 3 5 1 67 247.322 6 ↓
Hi High (pH 8-9.5) 1.08 2.68 -10.15 2 5 0 63 246.314 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(2-pyridyl)-1H-imidazol-4-yl]methyl]ethanamine 2-methoxy-N-[[2-(2-pyridyl)-1H-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) 0.68 3 -40.13 3 5 1 67 233.295 6 ↓
Hi High (pH 8-9.5) 0.68 1.64 -9 2 5 0 63 232.287 6 ↓

Analogs

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Popular Name: 2-(4-methyl-2-pyridyl)-1H-imidazole-4-carbaldehyde 2-(4-methyl-2-pyridyl)-1H-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) 1.33 3.5 -16.56 1 4 0 59 187.202 2 ↓
Hi High (pH 8-9.5) 1.33 3.04 -47.6 0 4 -1 57 186.194 2 ↓

Analogs

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Popular Name: 2-(3-methyl-2-pyridyl)-1H-imidazole-4-carbaldehyde 2-(3-methyl-2-pyridyl)-1H-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) 1.33 3.95 -15.54 1 4 0 59 187.202 2 ↓
Hi High (pH 8-9.5) 1.33 3.49 -44.95 0 4 -1 57 186.194 2 ↓

Analogs

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Popular Name: 2-(6-methyl-2-pyridyl)-1H-imidazole-4-carbaldehyde 2-(6-methyl-2-pyridyl)-1H-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) 0.98 3.45 -16.47 1 4 0 59 187.202 2 ↓
Hi High (pH 8-9.5) 0.98 2.99 -48.08 0 4 -1 57 186.194 2 ↓

Analogs

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Popular Name: N,N-diethyl-2-[2-(2-pyridyl)imidazol-1-yl]ethanamine N,N-diethyl-2-[2-(2-pyridyl)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) 1.75 8.97 -39.66 1 4 1 35 245.35 6 ↓
Hi High (pH 8-9.5) 1.75 6.86 -7.19 0 4 0 34 244.342 6 ↓

Parameters Provided:

ring.id = 17868
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 = 17868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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