UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-methyl-5-phenyl-pyrimidin-4-amine 6-methyl-5-phenyl-pyrimidin-4-amine

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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 5.47 -5.18 2 3 0 52 185.23 1 ↓
Mid Mid (pH 6-8) 1.78 5.89 -29.69 3 3 1 53 186.238 1 ↓

Analogs

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Popular Name: 2-Amino-5-(2-tolyl)pyrimidine 2-Amino-5-(2-tolyl)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) 2.16 5.9 -5.1 2 3 0 52 185.23 1 ↓

Analogs

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Popular Name: 2,6-dimethyl-5-phenyl-pyrimidin-4-amine 2,6-dimethyl-5-phenyl-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) 1.87 5.42 -5.62 2 3 0 52 199.257 1 ↓
Mid Mid (pH 6-8) 1.87 5.81 -26.49 3 3 1 53 200.265 1 ↓

Analogs

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Popular Name: 5-(4-ethylphenyl)pyrimidin-2-amine 5-(4-ethylphenyl)pyrimidin-2-amine

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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 6.74 -5.69 2 3 0 52 199.257 2 ↓

Analogs

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Popular Name: 5-(3,4-dimethylphenyl)pyrimidin-2-amine 5-(3,4-dimethylphenyl)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) 2.58 6.52 -5.97 2 3 0 52 199.257 1 ↓

Analogs

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Popular Name: 2-Amino-5-(2-methoxylphenyl)pyrimidine 2-Amino-5-(2-methoxylphenyl)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) 1.77 4.91 -6.69 2 4 0 61 201.229 2 ↓

Analogs

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Popular Name: 2-Amino-5-(3-methoxylphenyl)pyrimidine 2-Amino-5-(3-methoxylphenyl)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) 1.79 4.6 -7.2 2 4 0 61 201.229 2 ↓

Analogs

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Popular Name: 2-Amino-5-(2-chlorophenyl)pyrimidine 2-Amino-5-(2-chlorophenyl)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) 2.39 5.82 -5.87 2 3 0 52 205.648 1 ↓

Analogs

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Popular Name: 2-Amino-5-(3-chlorophenyl)pyrimidine 2-Amino-5-(3-chlorophenyl)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) 2.41 5.82 -6.13 2 3 0 52 205.648 1 ↓

Analogs

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Popular Name: 2-Amino-5-(4-chlorophenyl)pyrimidine 2-Amino-5-(4-chlorophenyl)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) 2.44 5.82 -6.02 2 3 0 52 205.648 1 ↓

Analogs

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Popular Name: 5-(3,5-difluorophenyl)pyrimidin-2-amine 5-(3,5-difluorophenyl)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) 2.01 5.44 -5.83 2 3 0 52 207.183 1 ↓

Analogs

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Popular Name: 5-(4-tert-butylphenyl)pyrimidin-4-amine 5-(4-tert-butylphenyl)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) 3.27 7.41 -4.56 2 3 0 52 227.311 2 ↓
Lo Low (pH 4.5-6) 3.27 7.89 -32.89 3 3 1 53 228.319 2 ↓

Analogs

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Popular Name: 5-(4-tert-butylphenyl)pyrimidin-2-amine 5-(4-tert-butylphenyl)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) 3.46 7.62 -5.54 2 3 0 52 227.311 2 ↓

Analogs

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Popular Name: 4-fluoro-2-pyrimidin-5-yl-benzoic 4-fluoro-2-pyrimidin-5-yl-benzoic

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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) 1.62 6.43 -42.39 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 2-chloro-5-pyrimidin-5-yl-benzoic 2-chloro-5-pyrimidin-5-yl-benzoic

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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 6.88 -48.77 0 4 -1 66 233.634 2 ↓

Analogs

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Popular Name: 5-fluoro-2-pyrimidin-5-yl-benzoic 5-fluoro-2-pyrimidin-5-yl-benzoic

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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) 1.62 6.67 -48.12 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 2-fluoro-5-pyrimidin-5-yl-benzoic 2-fluoro-5-pyrimidin-5-yl-benzoic

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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) 1.62 6.52 -52.77 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 2-fluoro-4-(pyrimidin-5-yl)benzoic acid 2-fluoro-4-(pyrimidin-5-yl)benzo…

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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) 1.62 6.52 -50.86 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 5-methoxy-2-pyrimidin-5-yl-benzoic 5-methoxy-2-pyrimidin-5-yl-benzoic

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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 5.9 -52.65 0 5 -1 75 229.215 3 ↓

Analogs

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Popular Name: 3-fluoro-4-pyrimidin-5-yl-benzoic 3-fluoro-4-pyrimidin-5-yl-benzoic

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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 6.71 -44.7 0 4 -1 66 217.179 2 ↓

Analogs

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Popular Name: 2-methyl-5-pyrimidin-5-yl-aniline 2-methyl-5-pyrimidin-5-yl-aniline

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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) 1.81 4.58 -5.69 2 3 0 52 185.23 1 ↓

Analogs

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Popular Name: 4-fluoro-2-pyrimidin-5-yl-aniline 4-fluoro-2-pyrimidin-5-yl-aniline

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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 4.19 -5.19 2 3 0 52 189.193 1 ↓

Analogs

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Popular Name: 3-methyl-4-pyrimidin-5-yl-aniline 3-methyl-4-pyrimidin-5-yl-aniline

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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) 1.41 4.4 -5.07 2 3 0 52 185.23 1 ↓

Analogs

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Popular Name: 4-methyl-2-pyrimidin-5-yl-aniline 4-methyl-2-pyrimidin-5-yl-aniline

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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) 1.81 4.79 -4.34 2 3 0 52 185.23 1 ↓

Analogs

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Popular Name: (2-pyrimidin-5-ylphenyl)methanamine (2-pyrimidin-5-ylphenyl)methanamine

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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 3.87 -42.08 3 3 1 53 186.238 2 ↓
Hi High (pH 8-9.5) 1.09 3.5 -4.53 2 3 0 52 185.23 2 ↓

Analogs

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Popular Name: 1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine 1-[4-(pyrimidin-5-yl)phenyl]etha…

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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) -0.18 4.7 -49.36 3 3 1 53 200.265 2 ↓
Hi High (pH 8-9.5) -0.18 4.36 -5.2 2 3 0 52 199.257 2 ↓

Analogs

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Popular Name: 1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine 1-[4-(pyrimidin-5-yl)phenyl]etha…

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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) -0.18 4.69 -49.33 3 3 1 53 200.265 2 ↓
Hi High (pH 8-9.5) -0.18 4.36 -5.56 2 3 0 52 199.257 2 ↓

Analogs

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Popular Name: N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine N-methyl-1-(2-pyrimidin-5-ylphen…

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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) 1.46 5.75 -37.16 2 3 1 42 200.265 3 ↓
Hi High (pH 8-9.5) 1.46 4.38 -4.31 1 3 0 38 199.257 3 ↓

Analogs

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Popular Name: (2-fluoro-5-pyrimidin-5-yl-phenyl)methanamine (2-fluoro-5-pyrimidin-5-yl-pheny…

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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 -48.41 3 3 1 53 204.228 2 ↓
Hi High (pH 8-9.5) 1.23 3.6 -6 2 3 0 52 203.22 2 ↓

Analogs

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Popular Name: (1S)-1-(3-pyrimidin-5-ylphenyl)ethanamine (1S)-1-(3-pyrimidin-5-ylphenyl)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) -0.20 4.7 -49.55 3 3 1 53 200.265 2 ↓
Hi High (pH 8-9.5) -0.20 4.37 -5.5 2 3 0 52 199.257 2 ↓

Analogs

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Popular Name: (1R)-1-(3-pyrimidin-5-ylphenyl)ethanamine (1R)-1-(3-pyrimidin-5-ylphenyl)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) -0.20 4.69 -49.58 3 3 1 53 200.265 2 ↓
Hi High (pH 8-9.5) -0.20 4.39 -4.94 2 3 0 52 199.257 2 ↓

Analogs

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Popular Name: 2-methoxy-5-pyrimidin-5-yl-aniline 2-methoxy-5-pyrimidin-5-yl-aniline

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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 3.23 -6.53 2 4 0 61 201.229 2 ↓

Analogs

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Popular Name: 4,5-dimethoxy-2-pyrimidin-5-yl-benzaldehyde 4,5-dimethoxy-2-pyrimidin-5-yl-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) 1.32 4.81 -9.29 0 5 0 61 244.25 4 ↓

Analogs

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Popular Name: 1-(4-pyrimidin-5-ylphenyl)propan-1-one 1-(4-pyrimidin-5-ylphenyl)propan…

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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 7.2 -9.84 0 3 0 43 212.252 3 ↓

Analogs

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Popular Name: 2-fluoro-5-pyrimidin-5-yl-benzaldehyde 2-fluoro-5-pyrimidin-5-yl-benzal…

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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) 1.84 5.74 -12.55 0 3 0 43 202.188 2 ↓

Analogs

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Popular Name: 1-(3-pyrimidin-5-ylphenyl)propan-1-one 1-(3-pyrimidin-5-ylphenyl)propan…

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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 7.21 -10.49 0 3 0 43 212.252 3 ↓

Analogs

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Popular Name: 4-fluoro-3-pyrimidin-5-yl-benzaldehyde 4-fluoro-3-pyrimidin-5-yl-benzal…

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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) 1.84 5.88 -9.04 0 3 0 43 202.188 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(3-pyrimidin-5-ylphenyl)propan-1-amine (1S)-N-methyl-1-(3-pyrimidin-5-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) 1.65 7.21 -43.49 2 3 1 42 228.319 4 ↓
Hi High (pH 8-9.5) 1.65 6.13 -4.73 1 3 0 38 227.311 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(3-pyrimidin-5-ylphenyl)propan-1-amine (1R)-N-methyl-1-(3-pyrimidin-5-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) 1.65 7.22 -43.5 2 3 1 42 228.319 4 ↓
Hi High (pH 8-9.5) 1.65 6.09 -4.73 1 3 0 38 227.311 4 ↓

Analogs

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Popular Name: N-[(4,5-dimethoxy-2-pyrimidin-5-yl-phenyl)methyl]propan-2-amine N-[(4,5-dimethoxy-2-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) 1.76 6.34 -40.55 2 5 1 61 288.371 6 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(3-pyrimidin-5-ylphenyl)propan-1-amine (1S)-N-ethyl-1-(3-pyrimidin-5-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) 2.02 8.05 -41.93 2 3 1 42 242.346 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(3-pyrimidin-5-ylphenyl)propan-1-amine (1R)-N-ethyl-1-(3-pyrimidin-5-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) 2.02 8.05 -41.93 2 3 1 42 242.346 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4-pyrimidin-5-ylphenyl)ethanamine (1S)-N-methyl-1-(4-pyrimidin-5-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) 2.07 6.47 -43.97 2 3 1 42 214.292 3 ↓
Hi High (pH 8-9.5) 2.07 5.29 -4.76 1 3 0 38 213.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(4-pyrimidin-5-ylphenyl)ethanamine (1R)-N-methyl-1-(4-pyrimidin-5-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) 2.07 6.47 -43.96 2 3 1 42 214.292 3 ↓
Hi High (pH 8-9.5) 2.07 5.29 -5.17 1 3 0 38 213.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-propyl-1-(3-pyrimidin-5-ylphenyl)propan-1-amine (1S)-N-propyl-1-(3-pyrimidin-5-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) 2.53 8.8 -42.85 2 3 1 42 256.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-propyl-1-(3-pyrimidin-5-ylphenyl)propan-1-amine (1R)-N-propyl-1-(3-pyrimidin-5-y…

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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) 2.53 8.8 -42.8 2 3 1 42 256.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluoro-3-pyrimidin-5-yl-phenyl)-N-methyl-methanamine 1-(4-fluoro-3-pyrimidin-5-yl-phe…

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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) 1.60 6.06 -50.34 2 3 1 42 218.255 3 ↓
Hi High (pH 8-9.5) 1.60 4.62 -5.35 1 3 0 38 217.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluoro-3-pyrimidin-5-yl-phenyl)methyl]ethanamine N-[(4-fluoro-3-pyrimidin-5-yl-ph…

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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) 1.98 6.92 -49.68 2 3 1 42 232.282 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluoro-3-pyrimidin-5-yl-phenyl)methyl]propan-1-amine N-[(4-fluoro-3-pyrimidin-5-yl-ph…

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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) 2.48 7.67 -50.76 2 3 1 42 246.309 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluoro-3-pyrimidin-5-yl-phenyl)methyl]propan-2-amine N-[(4-fluoro-3-pyrimidin-5-yl-ph…

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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) 2.28 7.45 -48.1 2 3 1 42 246.309 4 ↓

Parameters Provided:

ring.id = 24572
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 = 24572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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