UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-amino-6-(3-methoxyphenyl)pyrimidin-4-ol 2-amino-6-(3-methoxyphenyl)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) 1.19 3.61 -12.41 3 5 0 81 217.228 2 ↓

Analogs

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Popular Name: 2-amino-6-(4-ethoxyphenyl)pyrimidin-4-ol 2-amino-6-(4-ethoxyphenyl)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) 1.59 4.55 -12.13 3 5 0 81 231.255 3 ↓

Analogs

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Popular Name: 2-amino-6-(4-butylphenyl)pyrimidin-4-ol 2-amino-6-(4-butylphenyl)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) 3.02 7.31 -11.08 3 4 0 72 243.31 4 ↓

Analogs

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Popular Name: 2-amino-6-(4-isobutylphenyl)pyrimidin-4-ol 2-amino-6-(4-isobutylphenyl)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) 2.46 7 -11.02 3 4 0 72 243.31 3 ↓

Analogs

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Popular Name: 2-amino-6-(3,4-dimethoxyphenyl)pyrimidin-4-ol 2-amino-6-(3,4-dimethoxyphenyl)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) 0.80 3.53 -14.27 3 6 0 90 247.254 3 ↓

Analogs

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Popular Name: 2-amino-6-(4-isobutoxyphenyl)pyrimidin-4-ol 2-amino-6-(4-isobutoxyphenyl)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) 2.33 6.04 -11.79 3 5 0 81 259.309 4 ↓

Analogs

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Popular Name: 2-amino-6-(4-butoxyphenyl)pyrimidin-4-ol 2-amino-6-(4-butoxyphenyl)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) 2.65 6.13 -11.81 3 5 0 81 259.309 5 ↓

Analogs

34333565
34333565

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Popular Name: 2-Methyl-6-m-tolyl-pyrimidin-4-ol 2-Methyl-6-m-tolyl-pyrimidin-4-ol

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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) 1.86 -0.12 -10.94 1 3 0 46 200.241 1 ↓

Analogs

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Popular Name: 2,2,2-trifluoroethyl N-[4-(2-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)phenyl]carbamate 2,2,2-trifluoroethyl N-[4-(2-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) 2.29 4.46 -14.78 2 6 0 84 327.262 5 ↓

Analogs

13108275
13108275

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Popular Name: 2-tert-butyl-4-phenyl-1H-pyrimidin-6-one 2-tert-butyl-4-phenyl-1H-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) 3.16 6.84 -8.93 1 3 0 46 228.295 2 ↓

Analogs

13108275
13108275

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Popular Name: 2-Isopropyl-6-phenyl-pyrimidin-4-ol 2-Isopropyl-6-phenyl-pyrimidin-4-ol

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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) 2.49 6.24 -9.48 1 3 0 46 214.268 2 ↓

Analogs

13108275
13108275

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Popular Name: 2-isobutyl-4-phenyl-1H-pyrimidin-6-one 2-isobutyl-4-phenyl-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) 2.76 7.51 -9.56 1 3 0 46 228.295 3 ↓

Analogs

13108275
13108275

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Popular Name: 2-(2-diethylaminoethyl)-4-phenyl-1H-pyrimidin-6-one 2-(2-diethylaminoethyl)-4-phenyl…

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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 8.48 -49.51 2 4 1 50 272.372 6 ↓
Hi High (pH 8-9.5) 2.87 6.07 -55.74 1 4 0 53 271.364 6 ↓

Analogs

4848680
4848680
9689660
9689660

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Popular Name: N-tert-butyl-2-(4-hydroxy-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide N-tert-butyl-2-(4-hydroxy-6-phen…

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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 5.9 -12.86 2 5 0 75 317.414 5 ↓

Analogs

17040299
17040299

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Popular Name: 2-Amino-6-(4-methylphenyl)pyrimidin-4(3H)-one 2-Amino-6-(4-methylphenyl)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) 1.60 4.92 -15.12 3 4 0 72 201.229 1 ↓

Analogs

44652932
44652932

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Popular Name: 2-Methyl-6-p-tolyl-pyrimidin-4-ol 2-Methyl-6-p-tolyl-pyrimidin-4-ol

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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) 1.89 5.53 -10.9 1 3 0 46 200.241 1 ↓

Analogs

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Popular Name: 2-[4-hydroxy-2-(hydroxymethyl)-6-phenyl-pyrimidin-5-yl]acetic 2-[4-hydroxy-2-(hydroxymethyl)-6…

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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) 0.15 0.42 -72.76 2 6 -1 106 259.241 4 ↓
Hi High (pH 8-9.5) 0.60 -0.59 -135.97 1 6 -2 109 258.233 4 ↓

Analogs

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Popular Name: (2R)-2-[4-hydroxy-2-(hydroxymethyl)-6-phenyl-pyrimidin-5-yl]propanoic (2R)-2-[4-hydroxy-2-(hydroxymeth…

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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) 0.47 1.45 -73.52 2 6 -1 106 273.268 4 ↓
Hi High (pH 8-9.5) 0.93 0.43 -137.34 1 6 -2 109 272.26 4 ↓

Analogs

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Popular Name: (2S)-2-[4-hydroxy-2-(hydroxymethyl)-6-phenyl-pyrimidin-5-yl]propanoic (2S)-2-[4-hydroxy-2-(hydroxymeth…

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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) 0.47 1.97 -74.32 2 6 -1 106 273.268 4 ↓
Hi High (pH 8-9.5) 0.93 0.95 -138.8 1 6 -2 109 272.26 4 ↓

Analogs

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Popular Name: isobutyl isobutyl

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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) 1.57 6.39 -17.38 2 6 0 92 330.384 7 ↓
Hi High (pH 8-9.5) 2.03 4.29 -57.59 1 6 -1 95 329.376 7 ↓

Analogs

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Popular Name: isobutyl isobutyl

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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) 1.57 6.07 -16.68 2 6 0 92 330.384 7 ↓
Hi High (pH 8-9.5) 2.03 3.85 -57.47 1 6 -1 95 329.376 7 ↓

Analogs

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Popular Name: isopentyl isopentyl

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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) 2.10 7.03 -17.33 2 6 0 92 344.411 8 ↓
Hi High (pH 8-9.5) 2.56 4.94 -57.54 1 6 -1 95 343.403 8 ↓

Analogs

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Popular Name: isopentyl isopentyl

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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) 2.10 6.72 -16.54 2 6 0 92 344.411 8 ↓
Hi High (pH 8-9.5) 2.56 4.49 -57.19 1 6 -1 95 343.403 8 ↓

Analogs

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Popular Name: (2R)-2-[4-hydroxy-2-(hydroxymethyl)-6-phenyl-pyrimidin-5-yl]hexanoic (2R)-2-[4-hydroxy-2-(hydroxymeth…

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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 3.69 -73.12 2 6 -1 106 315.349 7 ↓
Hi High (pH 8-9.5) 2.34 2.67 -140.01 1 6 -2 109 314.341 7 ↓

Analogs

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Popular Name: (2S)-2-[4-hydroxy-2-(hydroxymethyl)-6-phenyl-pyrimidin-5-yl]hexanoic (2S)-2-[4-hydroxy-2-(hydroxymeth…

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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 4.24 -74.26 2 6 -1 106 315.349 7 ↓
Hi High (pH 8-9.5) 2.34 3.22 -141.75 1 6 -2 109 314.341 7 ↓

Analogs

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Popular Name: 3-[4-hydroxy-2-(hydroxymethyl)-6-phenyl-pyrimidin-5-yl]propanoic 3-[4-hydroxy-2-(hydroxymethyl)-6…

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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) 0.66 1.3 -67.95 2 6 -1 106 273.268 5 ↓
Hi High (pH 8-9.5) 1.12 0.29 -121.74 1 6 -2 109 272.26 5 ↓

Analogs

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Popular Name: (2S)-3-[4-hydroxy-2-(hydroxymethyl)-6-phenyl-pyrimidin-5-yl]-2-methyl-propanoic (2S)-3-[4-hydroxy-2-(hydroxymeth…

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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 1.83 -65.62 2 6 -1 106 287.295 5 ↓
Hi High (pH 8-9.5) 1.35 0.81 -117.41 1 6 -2 109 286.287 5 ↓

Analogs

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Popular Name: (2R)-3-[4-hydroxy-2-(hydroxymethyl)-6-phenyl-pyrimidin-5-yl]-2-methyl-propanoic (2R)-3-[4-hydroxy-2-(hydroxymeth…

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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 1.81 -66.08 2 6 -1 106 287.295 5 ↓
Hi High (pH 8-9.5) 1.35 0.79 -117.7 1 6 -2 109 286.287 5 ↓

Analogs

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Popular Name: isobutyl isobutyl

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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 6.23 -15.28 2 6 0 92 344.411 8 ↓
Hi High (pH 8-9.5) 3.09 4.19 -50.6 1 6 -1 95 343.403 8 ↓

Analogs

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Popular Name: isobutyl isobutyl

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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 6.34 -14.81 2 6 0 92 344.411 8 ↓
Hi High (pH 8-9.5) 3.09 3.97 -52.77 1 6 -1 95 343.403 8 ↓

Analogs

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Popular Name: isopentyl isopentyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 6.88 -15.06 2 6 0 92 358.438 9 ↓
Hi High (pH 8-9.5) 3.62 4.84 -50.49 1 6 -1 95 357.43 9 ↓

Analogs

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Popular Name: isopentyl isopentyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 6.99 -14.69 2 6 0 92 358.438 9 ↓
Hi High (pH 8-9.5) 3.62 4.61 -52.58 1 6 -1 95 357.43 9 ↓

Analogs

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Popular Name: 3-(dimethylamino)-1,1-diphenyl-1-propanol 3-(dimethylamino)-1,1-diphenyl-1…

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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 3.85 -12.99 3 5 0 81 235.218 2 ↓

Analogs

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Popular Name: 2-(butylamino)-4-phenyl-1H-pyrimidin-6-one 2-(butylamino)-4-phenyl-1H-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) 3.39 7.78 -10.05 2 4 0 58 243.31 5 ↓

Analogs

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Popular Name: 2-(2-Methoxy-ethylamino)-6-phenyl-pyrimidin-4-ol 2-(2-Methoxy-ethylamino)-6-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) 1.93 5.33 -10.97 2 5 0 67 245.282 5 ↓

Analogs

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Popular Name: 2-(isopropylamino)-4-phenyl-1H-pyrimidin-6-one 2-(isopropylamino)-4-phenyl-1H-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) 2.62 7.08 -10.19 2 4 0 58 229.283 3 ↓

Analogs

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Popular Name: 2-(3-Methyl-butylamino)-6-phenyl-pyrimidin-4-ol 2-(3-Methyl-butylamino)-6-phenyl…

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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) 3.60 8.3 -10.02 2 4 0 58 257.337 5 ↓

Analogs

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Popular Name: N-isopropyl-4-(6-oxo-4-phenyl-pyrimidin-1-yl)butanamide N-isopropyl-4-(6-oxo-4-phenyl-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) 1.74 8.36 -20.61 1 5 0 64 299.374 6 ↓

Analogs

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Popular Name: N-isobutyl-4-(6-oxo-4-phenyl-pyrimidin-1-yl)butanamide N-isobutyl-4-(6-oxo-4-phenyl-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) 2.19 9.06 -20.27 1 5 0 64 313.401 7 ↓

Analogs

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Popular Name: 4-(6-oxo-4-phenyl-pyrimidin-1-yl)-N-propyl-butanamide 4-(6-oxo-4-phenyl-pyrimidin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 8.32 -20.53 1 5 0 64 299.374 7 ↓

Analogs

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Popular Name: N-isopropyl-4-[4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]butanamide N-isopropyl-4-[4-(4-methoxypheny…

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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) 1.80 7.66 -21.26 1 6 0 73 329.4 7 ↓

Analogs

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Popular Name: N-isobutyl-4-[4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]butanamide N-isobutyl-4-[4-(4-methoxyphenyl…

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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) 2.24 8.37 -21.12 1 6 0 73 343.427 8 ↓

Analogs

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Popular Name: 4-[4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]-N-propyl-butanamide 4-[4-(4-methoxyphenyl)-6-oxo-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) 2.00 7.62 -21.33 1 6 0 73 329.4 8 ↓

Analogs

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Popular Name: 4-[4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]-N-(2,2,2-trifluoroethyl)butanamide 4-[4-(4-methoxyphenyl)-6-oxo-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) 2.05 7.31 -20.34 1 6 0 73 369.343 8 ↓

Analogs

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Popular Name: 4-[4-(4-fluorophenyl)-6-oxo-pyrimidin-1-yl]-N-isopropyl-butanamide 4-[4-(4-fluorophenyl)-6-oxo-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) 1.90 8.43 -19.94 1 5 0 64 317.364 6 ↓

Analogs

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Popular Name: 4-[4-(4-fluorophenyl)-6-oxo-pyrimidin-1-yl]-N-isobutyl-butanamide 4-[4-(4-fluorophenyl)-6-oxo-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 9.13 -19.67 1 5 0 64 331.391 7 ↓

Analogs

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Popular Name: 4-[4-(4-fluorophenyl)-6-oxo-pyrimidin-1-yl]-N-propyl-butanamide 4-[4-(4-fluorophenyl)-6-oxo-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) 2.11 8.39 -19.91 1 5 0 64 317.364 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(4-fluorophenyl)-6-oxo-pyrimidin-1-yl]-N-(2,2,2-trifluoroethyl)butanamide 4-[4-(4-fluorophenyl)-6-oxo-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) 2.15 8.08 -18.98 1 5 0 64 357.307 7 ↓

Analogs

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Popular Name: 4-[4-(4-ethoxyphenyl)-6-oxo-pyrimidin-1-yl]-N-isopropyl-butanamide 4-[4-(4-ethoxyphenyl)-6-oxo-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) 2.17 8.6 -21.2 1 6 0 73 343.427 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(4-ethoxyphenyl)-6-oxo-pyrimidin-1-yl]-N-isobutyl-butanamide 4-[4-(4-ethoxyphenyl)-6-oxo-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) 2.62 9.3 -20.94 1 6 0 73 357.454 9 ↓

Parameters Provided:

ring.id = 28736
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 = 28736 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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