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

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Popular Name: [2-(4,5-dibromo-2-furyl)pyrimidin-4-yl]hydrazine [2-(4,5-dibromo-2-furyl)pyrimidi…

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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 3.59 -8.41 3 5 0 77 333.971 2 ↓

Analogs

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Popular Name: [2-(5-bromo-2-furyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(5-bromo-2-furyl)-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) 2.38 4.2 -9.98 3 5 0 77 283.129 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5,6-dimethyl-2-(5-methyl-2-furyl)pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-(5-methyl-2-fury…

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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) 1.67 4.3 -11.84 3 5 0 77 218.26 2 ↓

Analogs

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

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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) 1.45 3.48 -11.66 3 5 0 77 204.233 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4,5-dibromo-2-furyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(4,5-dibromo-2-furyl)-5,6-dim…

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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) 3.12 4.8 -8.51 3 5 0 77 362.025 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) 2.36 6.26 -52.56 0 5 -1 65 263.298 3 ↓
Lo Low (pH 4.5-6) 1.64 6.54 -41.13 1 5 0 68 264.306 3 ↓

Analogs

38004058
38004058

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Popular Name: 4-chloro-2-(2-furyl)-6-isopropyl-pyrimidine 4-chloro-2-(2-furyl)-6-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) 3.57 5.86 -7.63 0 3 0 39 222.675 2 ↓

Analogs

38004097
38004097

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-isopropyl-2-(5-methyl-2-furyl)pyrimidine 4-chloro-6-isopropyl-2-(5-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) 3.79 6.69 -7.61 0 3 0 39 236.702 2 ↓

Analogs

38004078
38004078

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-2-furyl)-4-chloro-6-isopropyl-pyrimidine 2-(5-bromo-2-furyl)-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) 4.50 6.59 -5.86 0 3 0 39 301.571 2 ↓

Analogs

38004058
38004058

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Popular Name: 4-tert-butyl-6-chloro-2-(2-furyl)pyrimidine 4-tert-butyl-6-chloro-2-(2-furyl…

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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) 4.24 6.62 -7.49 0 3 0 39 236.702 2 ↓

Analogs

38004097
38004097

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Popular Name: 4-tert-butyl-6-chloro-2-(5-methyl-2-furyl)pyrimidine 4-tert-butyl-6-chloro-2-(5-methy…

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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) 4.46 7.44 -7.56 0 3 0 39 250.729 2 ↓

Analogs

38004078
38004078

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-2-furyl)-4-tert-butyl-6-chloro-pyrimidine 2-(5-bromo-2-furyl)-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) 5.17 7.34 -5.82 0 3 0 39 315.598 2 ↓

Analogs

38004058
38004058

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-ethyl-2-(2-furyl)pyrimidine 4-chloro-6-ethyl-2-(2-furyl)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) 3.08 5.44 -7.94 0 3 0 39 208.648 2 ↓

Analogs

38004097
38004097

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-ethyl-2-(5-methyl-2-furyl)pyrimidine 4-chloro-6-ethyl-2-(5-methyl-2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 6.26 -8.04 0 3 0 39 222.675 2 ↓

Analogs

38004078
38004078

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-2-furyl)-4-chloro-6-ethyl-pyrimidine 2-(5-bromo-2-furyl)-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) 4.02 6.16 -6.31 0 3 0 39 287.544 2 ↓

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) 2.35 7.6 -11.92 0 6 0 89 303.343 6 ↓

Analogs

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Popular Name: 2-(2-furyl)pyrimidine-4-carbaldehyde 2-(2-furyl)pyrimidine-4-carbalde…

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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) 1.30 3.33 -18.32 0 4 0 56 174.159 2 ↓

Analogs

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Popular Name: [2-(2-furyl)pyrimidin-4-yl]methanamine [2-(2-furyl)pyrimidin-4-yl]metha…

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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 1.58 -50.72 3 4 1 67 176.199 2 ↓
Mid Mid (pH 6-8) 0.69 1.18 -9.31 2 4 0 65 175.191 2 ↓

Analogs

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

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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 3.46 -45.25 2 4 1 56 190.226 3 ↓
Mid Mid (pH 6-8) 1.07 2.01 -8.96 1 4 0 51 189.218 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(2-furyl)pyrimidin-4-yl]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) 1.44 4.32 -44.42 2 4 1 56 204.253 4 ↓
Mid Mid (pH 6-8) 1.44 2.95 -8.72 1 4 0 51 203.245 4 ↓

Analogs

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Popular Name: N-[[2-(2-furyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(2-furyl)pyrimidin-4-yl]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) 1.95 5.07 -45.17 2 4 1 56 218.28 5 ↓
Mid Mid (pH 6-8) 1.95 3.71 -8.59 1 4 0 51 217.272 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(2-furyl)pyrimidin-4-yl]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) 1.74 4.85 -42.15 2 4 1 56 218.28 4 ↓
Hi High (pH 8-9.5) 1.74 3.62 -8.51 1 4 0 51 217.272 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)pyrimidin-4-yl]methyl]-2-methyl-propan-2-amine N-[[2-(2-furyl)pyrimidin-4-yl]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) 2.25 5.28 -40.61 2 4 1 56 232.307 4 ↓
Hi High (pH 8-9.5) 2.25 4.04 -8.4 1 4 0 51 231.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)pyrimidin-4-yl]methyl]-2-methyl-propan-1-amine N-[[2-(2-furyl)pyrimidin-4-yl]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) 2.19 5.76 -44.92 2 4 1 56 232.307 5 ↓
Hi High (pH 8-9.5) 2.19 4.54 -8.38 1 4 0 51 231.299 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)pyrimidin-4-yl]methyl]-2-methoxy-ethanamine N-[[2-(2-furyl)pyrimidin-4-yl]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) 1.05 2.1 -10.69 1 5 0 60 233.271 6 ↓
Mid Mid (pH 6-8) 1.05 3.45 -45.96 2 5 1 65 234.279 6 ↓

Analogs

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Popular Name: 2-(2-furyl)pyrimidine-4-carboxylic 2-(2-furyl)pyrimidine-4-carboxylic

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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 4.18 -53.11 0 5 -1 79 189.15 2 ↓

Analogs

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Popular Name: [2-(2-furyl)pyrimidin-4-yl]methanol [2-(2-furyl)pyrimidin-4-yl]methanol

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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) 0.85 1.04 -9.88 1 4 0 59 176.175 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(2-furyl)pyrimidine 4-(chloromethyl)-2-(2-furyl)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) 2.08 4.81 -10.4 0 3 0 39 194.621 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-furyl)-6-methyl-pyrimidin-4-yl]methanol [2-(2-furyl)-6-methyl-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) 1.29 1.65 -10.16 1 4 0 59 190.202 2 ↓

Analogs

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Popular Name: 2-(2-furyl)-6-methyl-pyrimidine-4-carbaldehyde 2-(2-furyl)-6-methyl-pyrimidine-…

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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) 1.74 3.93 -16.99 0 4 0 56 188.186 2 ↓

Analogs

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Popular Name: [2-(2-furyl)-6-methyl-pyrimidin-4-yl]methanamine [2-(2-furyl)-6-methyl-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) 1.13 2.19 -50.66 3 4 1 67 190.226 2 ↓
Mid Mid (pH 6-8) 1.13 1.79 -9.35 2 4 0 65 189.218 2 ↓

Analogs

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Popular Name: 1-[2-(2-furyl)-6-methyl-pyrimidin-4-yl]-N-methyl-methanamine 1-[2-(2-furyl)-6-methyl-pyrimidi…

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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) 1.51 4.06 -45.05 2 4 1 56 204.253 3 ↓
Mid Mid (pH 6-8) 1.51 2.62 -10.56 1 4 0 51 203.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-6-methyl-pyrimidin-4-yl]methyl]ethanamine N-[[2-(2-furyl)-6-methyl-pyrimid…

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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 4.92 -44.2 2 4 1 56 218.28 4 ↓
Mid Mid (pH 6-8) 1.88 3.55 -8.8 1 4 0 51 217.272 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-6-methyl-pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(2-furyl)-6-methyl-pyrimid…

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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 5.67 -44.98 2 4 1 56 232.307 5 ↓
Hi High (pH 8-9.5) 2.39 4.32 -8.64 1 4 0 51 231.299 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-6-methyl-pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(2-furyl)-6-methyl-pyrimid…

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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 5.45 -41.84 2 4 1 56 232.307 4 ↓
Hi High (pH 8-9.5) 2.18 4.25 -10.13 1 4 0 51 231.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-6-methyl-pyrimidin-4-yl]methyl]-2-methyl-propan-2-amine N-[[2-(2-furyl)-6-methyl-pyrimid…

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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) 2.69 5.86 -40.32 2 4 1 56 246.334 4 ↓
Hi High (pH 8-9.5) 2.69 4.64 -10.02 1 4 0 51 245.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-6-methyl-pyrimidin-4-yl]methyl]-2-methyl-propan-1-amine N-[[2-(2-furyl)-6-methyl-pyrimid…

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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) 2.63 6.37 -44.68 2 4 1 56 246.334 5 ↓
Hi High (pH 8-9.5) 2.63 5 -10.06 1 4 0 51 245.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-6-methyl-pyrimidin-4-yl]methyl]-2-methoxy-ethanamine N-[[2-(2-furyl)-6-methyl-pyrimid…

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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 2.63 -12.97 1 5 0 60 247.298 6 ↓
Mid Mid (pH 6-8) 1.49 4.06 -45.75 2 5 1 65 248.306 6 ↓

Analogs

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Popular Name: 2-(2-furyl)-6-methyl-pyrimidine-4-carboxylic 2-(2-furyl)-6-methyl-pyrimidine-…

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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) 1.52 4.78 -50.71 0 5 -1 79 203.177 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(2-furyl)-6-methyl-pyrimidine 4-(chloromethyl)-2-(2-furyl)-6-m…

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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) 2.52 5.41 -10.25 0 3 0 39 208.648 2 ↓

Analogs

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Popular Name: 2-[2-(2-furyl)pyrimidin-4-yl]ethanamine 2-[2-(2-furyl)pyrimidin-4-yl]eth…

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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) 0.49 2.4 -50.89 3 4 1 67 190.226 3 ↓

Analogs

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Popular Name: 2-[2-(2-furyl)-6-methyl-pyrimidin-4-yl]ethanamine 2-[2-(2-furyl)-6-methyl-pyrimidi…

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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) 0.93 3 -51.02 3 4 1 67 204.253 3 ↓

Analogs

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Popular Name: (2S)-1-[2-(2-furyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[2-(2-furyl)pyrimidin-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) 0.89 3.76 -38.03 3 4 1 67 204.253 3 ↓

Analogs

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Popular Name: (2R)-1-[2-(2-furyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[2-(2-furyl)pyrimidin-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) 0.89 3.04 -44.99 3 4 1 67 204.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(2-furyl)pyrimidin-4-yl]butan-2-amine (2S)-1-[2-(2-furyl)pyrimidin-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) 1.43 4.57 -37.9 3 4 1 67 218.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2-furyl)pyrimidin-4-yl]butan-2-amine (2R)-1-[2-(2-furyl)pyrimidin-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) 1.43 3.85 -45.05 3 4 1 67 218.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2-furyl)-6-methyl-pyrimidin-4-yl]propan-2-amine (2R)-1-[2-(2-furyl)-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) 1.33 3.64 -44.77 3 4 1 67 218.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(2-furyl)-6-methyl-pyrimidin-4-yl]propan-2-amine (2S)-1-[2-(2-furyl)-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) 1.33 4.36 -38.01 3 4 1 67 218.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(2-furyl)-6-methyl-pyrimidin-4-yl]butan-2-amine (2S)-1-[2-(2-furyl)-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) 1.87 5.17 -37.78 3 4 1 67 232.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2-furyl)-6-methyl-pyrimidin-4-yl]butan-2-amine (2R)-1-[2-(2-furyl)-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) 1.87 4.46 -44.88 3 4 1 67 232.307 4 ↓

Parameters Provided:

ring.id = 17053
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 = 17053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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