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Analogs

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Popular Name: 6-(benzimidazol-1-yl)-5-methyl-pyridin-3-amine 6-(benzimidazol-1-yl)-5-methyl-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) 2.33 6.23 -11.55 2 4 0 57 224.267 1 ↓
Lo Low (pH 4.5-6) 2.33 6.72 -31.19 3 4 1 58 225.275 1 ↓

Analogs

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Popular Name: 6-(5,6-dimethylbenzimidazol-1-yl)-5-methyl-pyridin-3-amine 6-(5,6-dimethylbenzimidazol-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) 3.13 7.45 -11.95 2 4 0 57 252.321 1 ↓
Lo Low (pH 4.5-6) 3.13 7.92 -30.87 3 4 1 58 253.329 1 ↓

Analogs

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Popular Name: 2-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile 2-(2-methylbenzimidazol-1-yl)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) 2.09 8.5 -12.02 0 4 0 55 234.262 1 ↓
Mid Mid (pH 6-8) 2.09 8.9 -32.68 1 4 1 56 235.27 1 ↓

Analogs

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Popular Name: 2-(benzimidazol-1-yl)-N'-hydroxy-pyridine-4-carboxamidine 2-(benzimidazol-1-yl)-N'-hydroxy…

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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) 0.56 5.28 -15.84 3 6 0 89 253.265 2 ↓
Lo Low (pH 4.5-6) 0.56 5.73 -37.9 4 6 1 91 254.273 2 ↓

Analogs

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Popular Name: 2-(5,6-dimethylbenzimidazol-1-yl)pyridine-4-carboxamidine 2-(5,6-dimethylbenzimidazol-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) 1.43 7.6 -52.31 4 5 1 82 266.328 2 ↓
Lo Low (pH 4.5-6) 1.43 8.06 -100.61 5 5 2 84 267.336 2 ↓

Analogs

43398544
43398544

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Popular Name: 2-(2-methylbenzimidazol-1-yl)pyridine-3-carbothioamide 2-(2-methylbenzimidazol-1-yl)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) 2.13 6.61 -25.85 2 4 0 57 268.345 2 ↓
Mid Mid (pH 6-8) 2.13 7 -32.69 3 4 1 58 269.353 2 ↓

Analogs

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Popular Name: N'-[[2-(benzimidazol-1-yl)-3-pyridyl]methyl]-N,N-dimethyl-butanediamide N'-[[2-(benzimidazol-1-yl)-3-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) 0.58 -1.57 -16.4 1 7 0 80 351.41 6 ↓

Analogs

43396072
43396072

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Popular Name: N-[[2-(benzimidazol-1-yl)-3-pyridyl]methyl]propan-2-amine N-[[2-(benzimidazol-1-yl)-3-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) 2.48 -0.11 -41.5 2 4 1 47 267.356 4 ↓

Analogs

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Popular Name: 6-(2-methylbenzimidazol-1-yl)pyridin-3-amine 6-(2-methylbenzimidazol-1-yl)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) 2.04 -1.54 -11.5 2 4 0 57 224.267 1 ↓

Analogs

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Popular Name: 2-methyl-1-(3-nitro-2-pyridyl)benzimidazole 2-methyl-1-(3-nitro-2-pyridyl)be…

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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) 2.29 1.24 -17.33 0 6 0 77 254.249 2 ↓

Analogs

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Popular Name: 2-(2-methylbenzimidazol-1-yl)pyridin-3-amine 2-(2-methylbenzimidazol-1-yl)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) 1.82 5.99 -10.46 2 4 0 57 224.267 1 ↓

Analogs

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Popular Name: 1-(6-chloro-3-nitro-2-pyridyl)-5,6-dimethyl-benzimidazole 1-(6-chloro-3-nitro-2-pyridyl)-5…

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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) 4.03 10.85 -13.41 0 6 0 77 302.721 2 ↓
Lo Low (pH 4.5-6) 4.03 11.32 -30.86 1 6 1 78 303.729 2 ↓

Analogs

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Popular Name: 1-(6-chloro-3-nitro-2-pyridyl)benzimidazole 1-(6-chloro-3-nitro-2-pyridyl)be…

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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) 3.23 9.63 -13.13 0 6 0 77 274.667 2 ↓
Lo Low (pH 4.5-6) 3.23 10.11 -31.36 1 6 1 78 275.675 2 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-2-tert-butoxy-pyridin-3-amine 6-(benzimidazol-1-yl)-2-tert-but…

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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) 3.31 8.15 -11.11 2 5 0 66 282.347 3 ↓
Lo Low (pH 4.5-6) 3.31 8.63 -35.3 3 5 1 67 283.355 3 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-2-isobutoxy-pyridin-3-amine 6-(benzimidazol-1-yl)-2-isobutox…

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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 7.58 -11.58 2 5 0 66 282.347 4 ↓
Lo Low (pH 4.5-6) 3.25 8.06 -35.37 3 5 1 67 283.355 4 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-2-propoxy-pyridin-3-amine 6-(benzimidazol-1-yl)-2-propoxy-…

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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) 3.01 6.89 -11.85 2 5 0 66 268.32 4 ↓
Lo Low (pH 4.5-6) 3.01 7.37 -35.6 3 5 1 67 269.328 4 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-2-isopropoxy-pyridin-3-amine 6-(benzimidazol-1-yl)-2-isopropo…

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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) 2.87 6.89 -11.72 2 5 0 66 268.32 3 ↓
Lo Low (pH 4.5-6) 2.87 7.37 -35.39 3 5 1 67 269.328 3 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-2-ethoxy-pyridin-3-amine 6-(benzimidazol-1-yl)-2-ethoxy-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) 2.51 6.1 -11.98 2 5 0 66 254.293 3 ↓
Lo Low (pH 4.5-6) 2.51 6.58 -35.74 3 5 1 67 255.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(benzimidazol-1-yl)-2-methoxy-pyridin-3-amine 6-(benzimidazol-1-yl)-2-methoxy-…

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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) 2.13 5.15 -12.12 2 5 0 66 240.266 2 ↓
Lo Low (pH 4.5-6) 2.13 5.63 -35.86 3 5 1 67 241.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(5,6-dimethylbenzimidazol-1-yl)-2-ethoxy-pyridin-3-amine 6-(5,6-dimethylbenzimidazol-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) 3.31 7.3 -12.46 2 5 0 66 282.347 3 ↓
Lo Low (pH 4.5-6) 3.31 7.78 -35.41 3 5 1 67 283.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(5,6-dimethylbenzimidazol-1-yl)-2-methoxy-pyridin-3-amine 6-(5,6-dimethylbenzimidazol-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) 2.93 6.38 -12.52 2 5 0 66 268.32 2 ↓
Lo Low (pH 4.5-6) 2.93 6.85 -35.57 3 5 1 67 269.328 2 ↓

Analogs

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Popular Name: N'-[6-(benzimidazol-1-yl)-3-pyridyl]-N-(5-methoxypentyl)oxamide N'-[6-(benzimidazol-1-yl)-3-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) 1.78 7.22 -14.09 2 8 0 98 381.436 9 ↓
Hi High (pH 8-9.5) 1.97 6.35 -50.98 1 8 -1 104 380.428 9 ↓
Lo Low (pH 4.5-6) 1.78 7.7 -39.21 3 8 1 99 382.444 9 ↓

Analogs

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Popular Name: 1-[[6-(benzimidazol-1-yl)-3-pyridyl]methyl]-3-(2,2,2-trifluoroethyl)urea 1-[[6-(benzimidazol-1-yl)-3-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) 2.43 7.38 -15.31 2 6 0 72 349.316 5 ↓
Lo Low (pH 4.5-6) 2.43 7.85 -42.14 3 6 1 73 350.324 5 ↓

Analogs

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Popular Name: (2R)-N-[[6-(benzimidazol-1-yl)-3-pyridyl]methyl]-2-methyl-butanamide (2R)-N-[[6-(benzimidazol-1-yl)-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) 2.80 9.56 -14.82 1 5 0 60 308.385 5 ↓
Lo Low (pH 4.5-6) 2.80 10.04 -42.03 2 5 1 61 309.393 5 ↓

Analogs

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Popular Name: (2S)-N-[[6-(benzimidazol-1-yl)-3-pyridyl]methyl]-2-methyl-butanamide (2S)-N-[[6-(benzimidazol-1-yl)-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) 2.80 9.56 -14.81 1 5 0 60 308.385 5 ↓
Lo Low (pH 4.5-6) 2.80 10.04 -42.07 2 5 1 61 309.393 5 ↓

Analogs

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Popular Name: N-[[6-(benzimidazol-1-yl)-3-pyridyl]methyl]-3-methyl-but-2-enamide N-[[6-(benzimidazol-1-yl)-3-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) 2.86 9.55 -14.22 1 5 0 60 306.369 4 ↓
Lo Low (pH 4.5-6) 2.86 9.98 -40.92 2 5 1 61 307.377 4 ↓

Analogs

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Popular Name: (2S)-N-[[6-(benzimidazol-1-yl)-3-pyridyl]methyl]-2-methylsulfanyl-propanamide (2S)-N-[[6-(benzimidazol-1-yl)-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) 2.07 9.24 -17.17 1 5 0 60 326.425 5 ↓
Lo Low (pH 4.5-6) 2.07 9.72 -44.57 2 5 1 61 327.433 5 ↓

Analogs

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Popular Name: (2R)-N-[[6-(benzimidazol-1-yl)-3-pyridyl]methyl]-2-methylsulfanyl-propanamide (2R)-N-[[6-(benzimidazol-1-yl)-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) 2.07 9.25 -17.36 1 5 0 60 326.425 5 ↓
Lo Low (pH 4.5-6) 2.07 9.72 -44.92 2 5 1 61 327.433 5 ↓

Analogs

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Popular Name: N-[[6-(benzimidazol-1-yl)-3-pyridyl]methyl]-3-ethylsulfanyl-propanamide N-[[6-(benzimidazol-1-yl)-3-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) 2.35 10.36 -14.88 1 5 0 60 340.452 7 ↓
Lo Low (pH 4.5-6) 2.35 10.84 -41.69 2 5 1 61 341.46 7 ↓

Analogs

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Popular Name: 1-(6-bromo-2-pyridyl)-5,6-dimethyl-benzimidazole 1-(6-bromo-2-pyridyl)-5,6-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) 4.25 10.16 -12.58 0 3 0 31 302.175 1 ↓
Lo Low (pH 4.5-6) 4.25 10.64 -38.93 1 3 1 32 303.183 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(5,6-dimethylbenzimidazol-1-yl)pyridin-2-amine 6-(5,6-dimethylbenzimidazol-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) 2.92 8.4 -11.94 2 4 0 57 238.294 1 ↓
Lo Low (pH 4.5-6) 2.92 8.88 -33.92 3 4 1 58 239.302 1 ↓

Analogs

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Popular Name: N-[6-(benzimidazol-1-yl)-3-pyridyl]-2-propoxy-acetamide N-[6-(benzimidazol-1-yl)-3-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) 2.51 9.19 -17.37 1 6 0 69 310.357 6 ↓
Lo Low (pH 4.5-6) 2.51 9.67 -39.43 2 6 1 70 311.365 6 ↓

Analogs

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Popular Name: N-[[2-(benzimidazol-1-yl)-3-pyridyl]methyl]-2,2-dimethyl-propanamide N-[[2-(benzimidazol-1-yl)-3-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) 3.16 8.67 -13.66 1 5 0 60 308.385 4 ↓
Lo Low (pH 4.5-6) 3.16 9.15 -32.12 2 5 1 61 309.393 4 ↓

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Popular Name: tert-butyl tert-butyl

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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) 4.59 8.16 -15.85 2 8 0 98 381.436 6 ↓
Lo Low (pH 4.5-6) 4.59 8.63 -39.75 3 8 1 99 382.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[6-(benzimidazol-1-yl)-3-pyridyl]-2-ethylsulfonyl-acetamide N-[6-(benzimidazol-1-yl)-3-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) 1.42 6.07 -30.3 1 7 0 94 344.396 5 ↓
Hi High (pH 8-9.5) 1.60 4.44 -56.26 0 7 -1 100 343.388 5 ↓
Lo Low (pH 4.5-6) 1.42 6.55 -51.45 2 7 1 95 345.404 5 ↓

Analogs

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Popular Name: 2-methyl-1-(4-methyl-2-pyridyl)benzimidazole-4-carboxylic 2-methyl-1-(4-methyl-2-pyridyl)b…

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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) 2.31 9.38 -66.02 0 5 -1 71 266.28 2 ↓
Lo Low (pH 4.5-6) 2.31 9.78 -37.82 1 5 0 72 267.288 2 ↓

Analogs

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Popular Name: 3-[1-(5-methyl-2-pyridyl)benzimidazol-2-yl]propanoic 3-[1-(5-methyl-2-pyridyl)benzimi…

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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) 2.55 10.17 -55.38 0 5 -1 71 280.307 4 ↓
Lo Low (pH 4.5-6) 2.55 10.5 -43.61 1 5 0 72 281.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-amino-2-pyridyl)-2-methyl-benzimidazole-4-carboxylic 1-(6-amino-2-pyridyl)-2-methyl-b…

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Activity (Go SEA)

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) 1.73 7.45 -66.47 2 6 -1 97 267.268 2 ↓
Lo Low (pH 4.5-6) 1.73 7.84 -38.39 3 6 0 98 268.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(benzimidazol-1-yl)pyridine-3-carboxamide 5-amino-2-(benzimidazol-1-yl)pyr…

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Activity (Go SEA)

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 3.06 -19.38 4 6 0 100 253.265 2 ↓
Lo Low (pH 4.5-6) 0.70 3.54 -29.77 5 6 1 101 254.273 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(5,6-dimethylbenzimidazol-1-yl)pyridine-3-carboxamide 5-amino-2-(5,6-dimethylbenzimida…

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Activity (Go SEA)

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) 1.50 4.28 -19.99 4 6 0 100 281.319 2 ↓
Lo Low (pH 4.5-6) 1.50 4.76 -29.44 5 6 1 101 282.327 2 ↓

Parameters Provided:

ring.id = 22953
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 = 22953 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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