UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-oxo-2-(3-pyridyl)-1H-pyrimidine-5-carbonitrile 6-oxo-2-(3-pyridyl)-1H-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) 0.70 1.22 -41.3 0 5 -1 86 197.177 1 ↓
Lo Low (pH 4.5-6) 0.70 1.69 -55.95 1 5 0 87 198.185 1 ↓

Analogs

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Popular Name: (2S)-2-[[6-butyl-2-(3-pyridyl)pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methyl-pentanamide (2S)-2-[[6-butyl-2-(3-pyridyl)py…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CXCR2-1-E Interleukin-8 Receptor B (cluster #1 Of 2), Eukaryotic Eukaryotes 750 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CXCR2_HUMAN P25025 Interleukin-8 Receptor B, Human 750 0.28 Binding ≤ 1μM
CXCR2_HUMAN P25025 Interleukin-8 Receptor B, Human 750 0.28 Binding ≤ 10μM

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) 4.49 9.79 -12.48 2 7 0 89 427.593 14 ↓
Lo Low (pH 4.5-6) 4.49 10.07 -35.27 3 7 1 90 428.601 14 ↓

Analogs

38004032
38004032
8700461
8700461

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Popular Name: 4-Chloro-6-ethyl-2-pyridin-3-yl-pyrimidine 4-Chloro-6-ethyl-2-pyridin-3-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) 2.87 5.82 -6.45 0 3 0 39 219.675 2 ↓

Analogs

38004032
38004032

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Popular Name: 4-Chloro-6-isopropyl-2-pyridin-3-yl-pyrimidine 4-Chloro-6-isopropyl-2-pyridin-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) 3.36 6.25 -6.1 0 3 0 39 233.702 2 ↓

Analogs

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Popular Name: 2-(3-pyridyl)pyrimidine-4-carbaldehyde 2-(3-pyridyl)pyrimidine-4-carbal…

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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 3.72 -16.24 0 4 0 56 185.186 2 ↓

Analogs

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Popular Name: [2-(3-pyridyl)pyrimidin-4-yl]methanamine [2-(3-pyridyl)pyrimidin-4-yl]met…

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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) 0.48 1.98 -50.49 3 4 1 66 187.226 2 ↓
Mid Mid (pH 6-8) 0.48 1.57 -9.28 2 4 0 65 186.218 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(3-pyridyl)pyrimidin-4-yl]methanamine N-methyl-1-[2-(3-pyridyl)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) 0.86 3.85 -44.9 2 4 1 55 201.253 3 ↓
Mid Mid (pH 6-8) 0.86 2.41 -7.37 1 4 0 51 200.245 3 ↓

Analogs

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Popular Name: N-[[2-(3-pyridyl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(3-pyridyl)pyrimidin-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) 1.23 4.71 -44.16 2 4 1 55 215.28 4 ↓
Mid Mid (pH 6-8) 1.23 3.34 -7.22 1 4 0 51 214.272 4 ↓

Analogs

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Popular Name: N-[[2-(3-pyridyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(3-pyridyl)pyrimidin-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) 1.73 5.46 -45.02 2 4 1 55 229.307 5 ↓
Mid Mid (pH 6-8) 1.73 4.1 -7.09 1 4 0 51 228.299 5 ↓

Analogs

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Popular Name: N-[[2-(3-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(3-pyridyl)pyrimidin-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) 1.53 5.24 -42.1 2 4 1 55 229.307 4 ↓
Hi High (pH 8-9.5) 1.53 4.04 -7.01 1 4 0 51 228.299 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(3-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-(3-pyridyl)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) 2.04 5.67 -40.48 2 4 1 55 243.334 4 ↓
Hi High (pH 8-9.5) 2.04 4.43 -6.86 1 4 0 51 242.326 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(3-pyridyl)pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[2-(3-pyridyl)pyrim…

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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) 0.84 2.49 -8.97 1 5 0 60 244.298 6 ↓
Mid Mid (pH 6-8) 0.84 3.85 -45.53 2 5 1 65 245.306 6 ↓

Analogs

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Popular Name: 2-(3-pyridyl)pyrimidine-4-carboxylic 2-(3-pyridyl)pyrimidine-4-carbox…

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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) 0.87 4.56 -51.1 0 5 -1 79 200.177 2 ↓

Analogs

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Popular Name: [2-(3-pyridyl)pyrimidin-4-yl]methanol [2-(3-pyridyl)pyrimidin-4-yl]met…

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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) 0.63 1.43 -8.48 1 4 0 59 187.202 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(3-pyridyl)pyrimidine 4-(chloromethyl)-2-(3-pyridyl)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) 1.87 5.2 -8.83 0 3 0 39 205.648 2 ↓

Analogs

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Popular Name: [6-methyl-2-(3-pyridyl)pyrimidin-4-yl]methanol [6-methyl-2-(3-pyridyl)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) 1.07 2.04 -8.72 1 4 0 59 201.229 2 ↓

Analogs

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Popular Name: 6-methyl-2-(3-pyridyl)pyrimidine-4-carbaldehyde 6-methyl-2-(3-pyridyl)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 4.32 -14.7 0 4 0 56 199.213 2 ↓

Analogs

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Popular Name: [6-methyl-2-(3-pyridyl)pyrimidin-4-yl]methanamine [6-methyl-2-(3-pyridyl)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) 0.92 2.57 -50.38 3 4 1 66 201.253 2 ↓
Mid Mid (pH 6-8) 0.92 2.17 -7.75 2 4 0 65 200.245 2 ↓

Analogs

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Popular Name: N-methyl-1-[6-methyl-2-(3-pyridyl)pyrimidin-4-yl]methanamine N-methyl-1-[6-methyl-2-(3-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) 1.29 4.45 -44.7 2 4 1 55 215.28 3 ↓
Mid Mid (pH 6-8) 1.29 3 -8.73 1 4 0 51 214.272 3 ↓

Analogs

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Popular Name: N-[[6-methyl-2-(3-pyridyl)pyrimidin-4-yl]methyl]ethanamine N-[[6-methyl-2-(3-pyridyl)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) 1.67 5.31 -43.94 2 4 1 55 229.307 4 ↓
Mid Mid (pH 6-8) 1.67 3.94 -7.14 1 4 0 51 228.299 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-(3-pyridyl)pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[6-methyl-2-(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) 2.48 6.27 -40.09 2 4 1 55 257.361 4 ↓
Hi High (pH 8-9.5) 2.48 5.03 -8.19 1 4 0 51 256.353 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-(3-pyridyl)pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[6-methyl-2-(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) 2.42 6.75 -44.96 2 4 1 55 257.361 5 ↓
Hi High (pH 8-9.5) 2.42 5.53 -8.22 1 4 0 51 256.353 5 ↓

Analogs

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Popular Name: 6-methyl-2-(3-pyridyl)pyrimidine-4-carboxylic 6-methyl-2-(3-pyridyl)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) 1.31 5.16 -48.89 0 5 -1 79 214.204 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-6-methyl-2-(3-pyridyl)pyrimidine 4-(chloromethyl)-6-methyl-2-(3-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) 2.31 5.8 -8.73 0 3 0 39 219.675 2 ↓

Analogs

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Popular Name: 2-[2-(3-pyridyl)pyrimidin-4-yl]ethanamine 2-[2-(3-pyridyl)pyrimidin-4-yl]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) 0.28 2.79 -50.25 3 4 1 66 201.253 3 ↓

Analogs

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Popular Name: 2-[6-methyl-2-(3-pyridyl)pyrimidin-4-yl]ethanamine 2-[6-methyl-2-(3-pyridyl)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) 0.72 3.39 -50.26 3 4 1 66 215.28 3 ↓

Analogs

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Popular Name: (2S)-1-[2-(3-pyridyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[2-(3-pyridyl)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) 0.68 4.16 -39.7 3 4 1 66 215.28 3 ↓

Analogs

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Popular Name: (2R)-1-[2-(3-pyridyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[2-(3-pyridyl)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) 0.68 3.43 -44.58 3 4 1 66 215.28 3 ↓

Analogs

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Popular Name: (2S)-1-[2-(3-pyridyl)pyrimidin-4-yl]butan-2-amine (2S)-1-[2-(3-pyridyl)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) 1.22 4.97 -39.6 3 4 1 66 229.307 4 ↓

Analogs

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Popular Name: (2R)-1-[2-(3-pyridyl)pyrimidin-4-yl]butan-2-amine (2R)-1-[2-(3-pyridyl)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) 1.22 4.25 -44.64 3 4 1 66 229.307 4 ↓

Analogs

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Popular Name: (2R)-1-[6-methyl-2-(3-pyridyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[6-methyl-2-(3-pyridyl)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) 1.12 4.03 -44.3 3 4 1 66 229.307 3 ↓

Analogs

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Popular Name: (2S)-1-[6-methyl-2-(3-pyridyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[6-methyl-2-(3-pyridyl)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) 1.12 4.76 -39.64 3 4 1 66 229.307 3 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(3-pyridyl)pyrimidine-5-carboxylic 4,6-dimethyl-2-(3-pyridyl)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) 1.22 5.82 -45.56 0 5 -1 79 228.231 2 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]ethanamine 2-[4,6-dimethyl-2-(3-pyridyl)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) 0.63 3.77 -57.71 3 4 1 66 229.307 3 ↓

Analogs

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Popular Name: [4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]methanamine [4,6-dimethyl-2-(3-pyridyl)pyrim…

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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) 0.83 2.98 -55.56 3 4 1 66 215.28 2 ↓
Mid Mid (pH 6-8) 0.83 2.57 -8.45 2 4 0 65 214.272 2 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]-N-methyl-propan-1-amine 3-[4,6-dimethyl-2-(3-pyridyl)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 6.44 -50.11 2 4 1 55 257.361 5 ↓

Analogs

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Popular Name: 3-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]-N-isopropyl-propan-1-amine 3-[4,6-dimethyl-2-(3-pyridyl)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) 2.80 7.82 -48.63 2 4 1 55 285.415 6 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]-N-methyl-ethanamine 2-[4,6-dimethyl-2-(3-pyridyl)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) 1.61 5.65 -52.53 2 4 1 55 243.334 4 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]-N-ethyl-ethanamine 2-[4,6-dimethyl-2-(3-pyridyl)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) 1.64 6.47 -51.66 2 4 1 55 257.361 5 ↓

Analogs

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Popular Name: N-[2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]ethyl]propan-1-amine N-[2-[4,6-dimethyl-2-(3-pyridyl)…

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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) 2.14 7.22 -52.93 2 4 1 55 271.388 6 ↓

Analogs

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Popular Name: N-[2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]ethyl]propan-2-amine N-[2-[4,6-dimethyl-2-(3-pyridyl)…

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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 7.02 -50.44 2 4 1 55 271.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]ethyl]-2-methyl-propan-2-amine N-[2-[4,6-dimethyl-2-(3-pyridyl)…

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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 7.44 -49.22 2 4 1 55 285.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]ethyl]-2-methyl-propan-1-amine N-[2-[4,6-dimethyl-2-(3-pyridyl)…

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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 7.93 -52.75 2 4 1 55 285.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]methyl]propan-2-amine N-[[4,6-dimethyl-2-(3-pyridyl)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) 1.88 6.22 -46.61 2 4 1 55 257.361 4 ↓
Mid Mid (pH 6-8) 1.88 5.01 -7.55 1 4 0 51 256.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]methyl]-2-methyl-propan-1-amine N-[[4,6-dimethyl-2-(3-pyridyl)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) 2.33 7.15 -49.44 2 4 1 55 271.388 5 ↓
Mid Mid (pH 6-8) 2.33 5.79 -7.49 1 4 0 51 270.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]methyl]-2-methoxy-ethanamine N-[[4,6-dimethyl-2-(3-pyridyl)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) 1.19 3.42 -9.57 1 5 0 60 272.352 6 ↓
Mid Mid (pH 6-8) 1.19 4.84 -49.06 2 5 1 65 273.36 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]-N-ethyl-propan-1-amine (2S)-2-[4,6-dimethyl-2-(3-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) 1.96 6.77 -50.81 2 4 1 55 271.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]-N-ethyl-propan-1-amine (2R)-2-[4,6-dimethyl-2-(3-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) 1.96 6.77 -50.38 2 4 1 55 271.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]-N-propyl-propan-1-amine (2S)-2-[4,6-dimethyl-2-(3-pyridy…

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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) 2.46 7.52 -51.91 2 4 1 55 285.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4,6-dimethyl-2-(3-pyridyl)pyrimidin-5-yl]-N-propyl-propan-1-amine (2R)-2-[4,6-dimethyl-2-(3-pyridy…

Find On: PubMed — Wikipedia — Google

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) 2.46 7.52 -51.49 2 4 1 55 285.415 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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