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Analogs

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Popular Name: [2-(benzofuran-2-yl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(benzofuran-2-yl)-5,6-dimethy…

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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) 2.76 5.88 -12.96 3 5 0 77 254.293 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4-chloro-6-isopropyl-pyrimidine 2-(benzofuran-2-yl)-4-chloro-6-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) 4.88 8.27 -8.57 0 3 0 39 272.735 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4-tert-butyl-6-chloro-pyrimidine 2-(benzofuran-2-yl)-4-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) 5.54 9.03 -8.5 0 3 0 39 286.762 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4-chloro-6-ethyl-pyrimidine 2-(benzofuran-2-yl)-4-chloro-6-e…

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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) 4.39 7.85 -8.95 0 3 0 39 258.708 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-N-ethyl-6-propyl-pyrimidin-4-amine 2-(benzofuran-2-yl)-N-ethyl-6-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) 4.45 8.69 -10.5 1 4 0 51 281.359 5 ↓
Mid Mid (pH 6-8) 4.45 9.06 -24.5 2 4 1 52 282.367 5 ↓

Analogs

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Popular Name: 2-[2-(benzofuran-2-yl)-4,6-dimethyl-pyrimidin-5-yl]acetic 2-[2-(benzofuran-2-yl)-4,6-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) 2.59 8.33 -49.31 0 5 -1 79 281.291 3 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4,6-dimethyl-pyrimidine-5-carboxylic 2-(benzofuran-2-yl)-4,6-dimethyl…

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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) 2.74 7.83 -47.44 0 5 -1 79 267.264 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4-methyl-pyrimidine-5-carboxylic 2-(benzofuran-2-yl)-4-methyl-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) 2.35 7.1 -43.75 0 5 -1 79 253.237 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4-propyl-pyrimidine-5-carboxylic 2-(benzofuran-2-yl)-4-propyl-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) 3.43 8.5 -44.01 0 5 -1 79 281.291 4 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4-ethyl-pyrimidine-5-carboxylic 2-(benzofuran-2-yl)-4-ethyl-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) 2.92 7.73 -43.65 0 5 -1 79 267.264 3 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4-isopropyl-pyrimidine-5-carboxylic 2-(benzofuran-2-yl)-4-isopropyl-…

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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) 3.41 8.55 -46.66 0 5 -1 79 281.291 3 ↓

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) 2.67 5.39 -51.7 0 6 -1 88 283.263 4 ↓
Mid Mid (pH 6-8) 2.21 6.63 -17.66 1 6 0 85 284.271 4 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4-(difluoromethyl)pyrimidine-5-carboxylic 2-(benzofuran-2-yl)-4-(difluorom…

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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) 2.91 7.27 -46.28 0 5 -1 79 289.217 3 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)pyrimidine-4-carbaldehyde 2-(benzofuran-2-yl)pyrimidine-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) 2.61 5.73 -20.6 0 4 0 56 224.219 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-6-methyl-pyrimidine-4-carbaldehyde 2-(benzofuran-2-yl)-6-methyl-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) 3.05 6.34 -18.33 0 4 0 56 238.246 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)pyrimidine-5-carbaldehyde 2-(benzofuran-2-yl)pyrimidine-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) 2.18 5.76 -14.49 0 4 0 56 224.219 2 ↓

Analogs

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Popular Name: 1-[2-(benzofuran-2-yl)-4-methyl-pyrimidin-5-yl]ethanone 1-[2-(benzofuran-2-yl)-4-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) 2.68 7.08 -12.49 0 4 0 56 252.273 2 ↓

Analogs

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Popular Name: [2-(benzofuran-2-yl)pyrimidin-4-yl]methanamine [2-(benzofuran-2-yl)pyrimidin-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) 2.00 3.99 -52.09 3 4 1 67 226.259 2 ↓
Mid Mid (pH 6-8) 2.00 3.59 -10.74 2 4 0 65 225.251 2 ↓

Analogs

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Popular Name: 1-[2-(benzofuran-2-yl)pyrimidin-4-yl]-N-methyl-methanamine 1-[2-(benzofuran-2-yl)pyrimidin-…

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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) 2.38 5.86 -46.52 2 4 1 56 240.286 3 ↓
Mid Mid (pH 6-8) 2.38 4.42 -10.37 1 4 0 51 239.278 3 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(benzofuran-2-yl)pyrimidin…

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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) 2.75 6.73 -45.77 2 4 1 56 254.313 4 ↓
Mid Mid (pH 6-8) 2.75 5.35 -10.2 1 4 0 51 253.305 4 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(benzofuran-2-yl)pyrimidin…

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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 7.47 -46.54 2 4 1 56 268.34 5 ↓
Mid Mid (pH 6-8) 3.25 6.12 -10.08 1 4 0 51 267.332 5 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(benzofuran-2-yl)pyrimidin…

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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) 3.05 7.25 -43.46 2 4 1 56 268.34 4 ↓
Hi High (pH 8-9.5) 3.05 6.05 -9.98 1 4 0 51 267.332 4 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-4-yl]methyl]-2-methyl-propan-2-amine N-[[2-(benzofuran-2-yl)pyrimidin…

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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) 3.56 7.69 -42.05 2 4 1 56 282.367 4 ↓
Hi High (pH 8-9.5) 3.56 6.44 -9.86 1 4 0 51 281.359 4 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-4-yl]methyl]-2-methyl-propan-1-amine N-[[2-(benzofuran-2-yl)pyrimidin…

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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) 3.50 8.17 -46.32 2 4 1 56 282.367 5 ↓
Hi High (pH 8-9.5) 3.50 6.95 -9.85 1 4 0 51 281.359 5 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-4-yl]methyl]-2-methoxy-ethanamine N-[[2-(benzofuran-2-yl)pyrimidin…

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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) 2.36 4.51 -12.34 1 5 0 60 283.331 6 ↓
Mid Mid (pH 6-8) 2.36 5.86 -47.45 2 5 1 65 284.339 6 ↓

Analogs

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Popular Name: [2-(benzofuran-2-yl)-6-methyl-pyrimidin-4-yl]methanamine [2-(benzofuran-2-yl)-6-methyl-py…

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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 4.6 -51.8 3 4 1 67 240.286 2 ↓
Mid Mid (pH 6-8) 2.44 4.19 -10.65 2 4 0 65 239.278 2 ↓

Analogs

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Popular Name: 1-[2-(benzofuran-2-yl)-6-methyl-pyrimidin-4-yl]-N-methyl-methanamine 1-[2-(benzofuran-2-yl)-6-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) 2.81 6.47 -46.19 2 4 1 56 254.313 3 ↓
Mid Mid (pH 6-8) 2.81 5.03 -12.07 1 4 0 51 253.305 3 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)-6-methyl-pyrimidin-4-yl]methyl]ethanamine N-[[2-(benzofuran-2-yl)-6-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) 3.19 7.33 -45.37 2 4 1 56 268.34 4 ↓
Mid Mid (pH 6-8) 3.19 5.96 -10.11 1 4 0 51 267.332 4 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)-6-methyl-pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(benzofuran-2-yl)-6-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) 3.69 8.08 -46.17 2 4 1 56 282.367 5 ↓
Hi High (pH 8-9.5) 3.69 6.72 -9.96 1 4 0 51 281.359 5 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)-6-methyl-pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(benzofuran-2-yl)-6-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) 3.49 7.86 -43.01 2 4 1 56 282.367 4 ↓
Hi High (pH 8-9.5) 3.49 6.66 -11.67 1 4 0 51 281.359 4 ↓

Analogs

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Popular Name: [2-(benzofuran-2-yl)pyrimidin-5-yl]methanamine [2-(benzofuran-2-yl)pyrimidin-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) 1.58 4.03 -58.51 3 4 1 67 226.259 2 ↓
Mid Mid (pH 6-8) 1.58 3.63 -10.4 2 4 0 65 225.251 2 ↓

Analogs

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Popular Name: 1-[2-(benzofuran-2-yl)pyrimidin-5-yl]-N-methyl-methanamine 1-[2-(benzofuran-2-yl)pyrimidin-…

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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) 1.95 5.9 -52.59 2 4 1 56 240.286 3 ↓
Mid Mid (pH 6-8) 1.95 4.46 -9.84 1 4 0 51 239.278 3 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-5-yl]methyl]ethanamine N-[[2-(benzofuran-2-yl)pyrimidin…

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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 6.76 -51.94 2 4 1 56 254.313 4 ↓
Mid Mid (pH 6-8) 2.33 5.39 -9.71 1 4 0 51 253.305 4 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-5-yl]methyl]propan-1-amine N-[[2-(benzofuran-2-yl)pyrimidin…

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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) 2.83 7.51 -52.96 2 4 1 56 268.34 5 ↓
Mid Mid (pH 6-8) 2.83 6.14 -9.61 1 4 0 51 267.332 5 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine N-[[2-(benzofuran-2-yl)pyrimidin…

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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) 2.62 7.29 -50.08 2 4 1 56 268.34 4 ↓
Hi High (pH 8-9.5) 2.62 6.09 -9.53 1 4 0 51 267.332 4 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-5-yl]methyl]-2-methyl-propan-2-amine N-[[2-(benzofuran-2-yl)pyrimidin…

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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) 3.14 7.71 -48.1 2 4 1 56 282.367 4 ↓
Hi High (pH 8-9.5) 3.14 6.49 -9.3 1 4 0 51 281.359 4 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-5-yl]methyl]-2-methyl-propan-1-amine N-[[2-(benzofuran-2-yl)pyrimidin…

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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) 3.07 8.2 -53.02 2 4 1 56 282.367 5 ↓
Hi High (pH 8-9.5) 3.07 6.99 -9.48 1 4 0 51 281.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(benzofuran-2-yl)pyrimidin-5-yl]methyl]-2-methoxy-ethanamine N-[[2-(benzofuran-2-yl)pyrimidin…

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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 4.54 -10.84 1 5 0 60 283.331 6 ↓
Mid Mid (pH 6-8) 1.94 5.89 -52.62 2 5 1 65 284.339 6 ↓

Analogs

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Popular Name: (1R)-1-[2-(benzofuran-2-yl)-4-methyl-pyrimidin-5-yl]ethanamine (1R)-1-[2-(benzofuran-2-yl)-4-me…

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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) 0.64 5.25 -58.57 3 4 1 67 254.313 2 ↓
Mid Mid (pH 6-8) 0.64 4.98 -10.25 2 4 0 65 253.305 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(benzofuran-2-yl)-4-methyl-pyrimidin-5-yl]ethanamine (1S)-1-[2-(benzofuran-2-yl)-4-me…

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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) 0.64 5.17 -58.58 3 4 1 67 254.313 2 ↓
Mid Mid (pH 6-8) 0.64 4.85 -10.85 2 4 0 65 253.305 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(benzofuran-2-yl)-4-methyl-pyrimidin-5-yl]-N-methyl-ethanamine (1R)-1-[2-(benzofuran-2-yl)-4-me…

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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) 2.90 7.07 -52.38 2 4 1 56 268.34 3 ↓
Mid Mid (pH 6-8) 2.90 5.98 -10.42 1 4 0 51 267.332 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(benzofuran-2-yl)-4-methyl-pyrimidin-5-yl]-N-methyl-ethanamine (1S)-1-[2-(benzofuran-2-yl)-4-me…

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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) 2.90 7.02 -52.35 2 4 1 56 268.34 3 ↓
Mid Mid (pH 6-8) 2.90 5.76 -9.58 1 4 0 51 267.332 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(benzofuran-2-yl)-4-methyl-pyrimidin-5-yl]-N-ethyl-ethanamine (1S)-1-[2-(benzofuran-2-yl)-4-me…

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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) 3.27 7.88 -51.01 2 4 1 56 282.367 4 ↓
Mid Mid (pH 6-8) 3.27 6.92 -10.13 1 4 0 51 281.359 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(benzofuran-2-yl)-4-methyl-pyrimidin-5-yl]-N-ethyl-ethanamine (1R)-1-[2-(benzofuran-2-yl)-4-me…

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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) 3.27 7.83 -50.67 2 4 1 56 282.367 4 ↓
Mid Mid (pH 6-8) 3.27 6.7 -9.25 1 4 0 51 281.359 4 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)pyrimidine-4-carboxylic 2-(benzofuran-2-yl)pyrimidine-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) 2.39 6.58 -55.98 0 5 -1 79 239.21 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-6-methyl-pyrimidine-4-carboxylic 2-(benzofuran-2-yl)-6-methyl-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) 2.83 7.19 -51.03 0 5 -1 79 253.237 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)pyrimidine-5-carboxylic 2-(benzofuran-2-yl)pyrimidine-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) 1.96 6.59 -44.09 0 5 -1 79 239.21 2 ↓

Analogs

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Popular Name: [2-(benzofuran-2-yl)pyrimidin-4-yl]methanol [2-(benzofuran-2-yl)pyrimidin-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) 2.15 3.45 -11.07 1 4 0 59 226.235 2 ↓

Analogs

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Popular Name: [2-(benzofuran-2-yl)pyrimidin-5-yl]methanol [2-(benzofuran-2-yl)pyrimidin-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) 1.73 3.32 -12.51 1 4 0 59 226.235 2 ↓

Analogs

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Popular Name: [2-(benzofuran-2-yl)-6-methyl-pyrimidin-4-yl]methanol [2-(benzofuran-2-yl)-6-methyl-py…

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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) 2.59 4.06 -11.26 1 4 0 59 240.262 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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