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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-6-(4-chloro-2-nitro-phenoxy)pyrimidine 4-chloro-6-(4-chloro-2-nitro-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) 3.48 6.73 -8.45 0 6 0 81 286.074 3 ↓

Analogs

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Popular Name: 4-chloro-6-(3-ethylphenoxy)pyrimidine 4-chloro-6-(3-ethylphenoxy)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) 3.80 6.44 -4.59 0 3 0 35 234.686 3 ↓

Analogs

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Popular Name: 4-chloro-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine 4-chloro-6-[2-[(E)-prop-1-enyl]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) 3.78 6.94 -5.44 0 3 0 35 246.697 3 ↓

Analogs

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

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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) 4.99 7.91 -4.25 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: 4-chloro-6-[4-(trifluoromethyl)phenoxy]pyrimidine 4-chloro-6-[4-(trifluoromethyl)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) 3.81 6.01 -4.28 0 3 0 35 274.629 3 ↓

Analogs

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Popular Name: 2-(6-chloropyrimidin-4-yl)oxybenzamide 2-(6-chloropyrimidin-4-yl)oxyben…

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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) 2.23 2.84 -12.61 2 5 0 78 249.657 3 ↓

Analogs

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Popular Name: 4-chloro-6-(2-propoxyphenoxy)pyrimidine 4-chloro-6-(2-propoxyphenoxy)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 6.61 -6.76 0 4 0 44 264.712 5 ↓

Analogs

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Popular Name: 4-chloro-6-(2,6-dimethoxyphenoxy)pyrimidine 4-chloro-6-(2,6-dimethoxyphenoxy…

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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 4.69 -9.79 0 5 0 53 266.684 4 ↓

Analogs

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Popular Name: 4-chloro-6-[2-(trifluoromethyl)phenoxy]pyrimidine 4-chloro-6-[2-(trifluoromethyl)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) 3.76 5.95 -6.85 0 3 0 35 274.629 3 ↓

Analogs

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Popular Name: 4-chloro-6-(2,4-difluorophenoxy)pyrimidine 4-chloro-6-(2,4-difluorophenoxy)…

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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) 3.17 5.13 -5.2 0 3 0 35 242.612 2 ↓

Analogs

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Popular Name: 4-(2-tert-butyl-4-methoxy-phenoxy)-6-chloro-pyrimidine 4-(2-tert-butyl-4-methoxy-phenox…

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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) 4.60 6.57 -4.81 0 4 0 44 292.766 4 ↓

Analogs

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

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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) 4.99 7.91 -4.15 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: 4-chloro-6-(4-chloro-2,6-dimethyl-phenoxy)pyrimidine 4-chloro-6-(4-chloro-2,6-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) 4.34 6.71 -3.98 0 3 0 35 269.131 2 ↓

Analogs

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

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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) 4.57 7.29 -4.21 0 3 0 35 262.74 3 ↓

Analogs

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Popular Name: 2-[4-(6-chloropyrimidin-4-yl)oxyphenyl]acetonitrile 2-[4-(6-chloropyrimidin-4-yl)oxy…

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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 6.18 -10.86 0 4 0 59 245.669 3 ↓

Analogs

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Popular Name: 4-chloro-6-(2-ethoxyphenoxy)pyrimidine 4-chloro-6-(2-ethoxyphenoxy)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) 3.10 5.81 -6.98 0 4 0 44 250.685 4 ↓

Analogs

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Popular Name: 4-chloro-6-(2-isopropyl-5-methyl-phenoxy)pyrimidine 4-chloro-6-(2-isopropyl-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) 4.33 7.56 -4.62 0 3 0 35 262.74 3 ↓

Analogs

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Popular Name: 4-chloro-6-(4-isopropyl-3-methyl-phenoxy)pyrimidine 4-chloro-6-(4-isopropyl-3-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) 4.33 7.53 -4.35 0 3 0 35 262.74 3 ↓

Analogs

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Popular Name: 4-chloro-6-(2-isopropylphenoxy)pyrimidine 4-chloro-6-(2-isopropylphenoxy)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) 3.90 6.89 -4.62 0 3 0 35 248.713 3 ↓

Analogs

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Popular Name: 4-chloro-6-[2-[(1R)-1-methylpropyl]phenoxy]pyrimidine 4-chloro-6-[2-[(1R)-1-methylprop…

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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) 4.25 7.53 -4.53 0 3 0 35 262.74 4 ↓

Analogs

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Popular Name: 4-chloro-6-[2-[(1S)-1-methylpropyl]phenoxy]pyrimidine 4-chloro-6-[2-[(1S)-1-methylprop…

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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) 4.25 7.53 -4.6 0 3 0 35 262.74 4 ↓

Analogs

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Popular Name: N-[2-(6-chloropyrimidin-4-yl)oxyphenyl]acetamide N-[2-(6-chloropyrimidin-4-yl)oxy…

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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 3.99 -8.81 1 5 0 64 263.684 3 ↓

Analogs

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Popular Name: 4-chloro-6-(2,3,5-trimethylphenoxy)pyrimidine 4-chloro-6-(2,3,5-trimethylpheno…

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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) 4.11 6.89 -4.9 0 3 0 35 248.713 2 ↓

Analogs

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Popular Name: 4-chloro-6-(4-propoxyphenoxy)pyrimidine 4-chloro-6-(4-propoxyphenoxy)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 6.03 -4.76 0 4 0 44 264.712 5 ↓

Analogs

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Popular Name: 4-chloro-6-(4-iodophenoxy)pyrimidine 4-chloro-6-(4-iodophenoxy)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) 3.99 6.11 -3.55 0 3 0 35 332.528 2 ↓

Analogs

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Popular Name: 4-chloro-6-(2,3,6-trimethylphenoxy)pyrimidine 4-chloro-6-(2,3,6-trimethylpheno…

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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) 4.11 6.88 -4.9 0 3 0 35 248.713 2 ↓

Analogs

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

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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) 4.99 8.01 -4.06 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: 4-chloro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine 4-chloro-6-[4-(2-methoxyethyl)ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 5.52 -5.15 0 4 0 44 264.712 5 ↓

Analogs

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Popular Name: 4-(3-tert-butylphenoxy)-6-chloro-pyrimidine 4-(3-tert-butylphenoxy)-6-chloro…

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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) 4.59 7.33 -4.39 0 3 0 35 262.74 3 ↓

Analogs

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Popular Name: 4-chloro-6-(4-chloro-3,5-dimethyl-phenoxy)pyrimidine 4-chloro-6-(4-chloro-3,5-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) 4.34 6.68 -3.9 0 3 0 35 269.131 2 ↓

Analogs

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Popular Name: 4-chloro-6-(2-iodophenoxy)pyrimidine 4-chloro-6-(2-iodophenoxy)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) 3.95 6.07 -5.13 0 3 0 35 332.528 2 ↓

Analogs

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Popular Name: 2-(6-chloropyrimidin-4-yl)oxy-6-fluoro-benzonitrile 2-(6-chloropyrimidin-4-yl)oxy-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) 2.73 5.4 -10.71 0 4 0 59 249.632 2 ↓

Analogs

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Popular Name: 4-chloro-6-(3-methylsulfonylphenoxy)pyrimidine 4-chloro-6-(3-methylsulfonylphen…

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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 2.55 -13.25 0 5 0 69 284.724 3 ↓

Analogs

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Popular Name: 4-chloro-6-(4-methylsulfonylphenoxy)pyrimidine 4-chloro-6-(4-methylsulfonylphen…

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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 2.55 -12.29 0 5 0 69 284.724 3 ↓

Analogs

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Popular Name: 4-chloro-6-(5-isopropyl-2-methyl-phenoxy)pyrimidine 4-chloro-6-(5-isopropyl-2-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) 4.80 7.59 -4.36 0 3 0 35 262.74 3 ↓

Analogs

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Popular Name: 4-chloro-6-(5-fluoro-2-nitro-phenoxy)pyrimidine 4-chloro-6-(5-fluoro-2-nitro-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) 2.96 6.28 -8.31 0 6 0 81 269.619 3 ↓

Analogs

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Popular Name: 4-chloro-6-(2-methyl-3-nitro-phenoxy)pyrimidine 4-chloro-6-(2-methyl-3-nitro-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) 3.22 6.32 -7.9 0 6 0 81 265.656 3 ↓

Analogs

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Popular Name: 4-chloro-6-(3-methyl-2-nitro-phenoxy)pyrimidine 4-chloro-6-(3-methyl-2-nitro-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) 3.22 6.57 -11.13 0 6 0 81 265.656 3 ↓

Analogs

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Popular Name: 4-chloro-6-(3-methyl-4-nitro-phenoxy)pyrimidine 4-chloro-6-(3-methyl-4-nitro-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) 3.25 6.4 -6.3 0 6 0 81 265.656 3 ↓

Analogs

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Popular Name: 4-chloro-6-(2-methyl-5-nitro-phenoxy)pyrimidine 4-chloro-6-(2-methyl-5-nitro-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) 3.25 6.39 -8.09 0 6 0 81 265.656 3 ↓

Analogs

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Popular Name: 4-chloro-6-(2-fluoro-4-nitro-phenoxy)pyrimidine 4-chloro-6-(2-fluoro-4-nitro-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) 2.96 5.78 -6.88 0 6 0 81 269.619 3 ↓

Analogs

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Popular Name: [4-(6-chloropyrimidin-4-yl)oxyphenyl]methanol [4-(6-chloropyrimidin-4-yl)oxyph…

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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 2.34 -6.63 1 4 0 55 236.658 3 ↓

Analogs

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Popular Name: 3-(6-chloropyrimidin-4-yl)oxy-N,N-dimethyl-aniline 3-(6-chloropyrimidin-4-yl)oxy-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) 2.99 5.4 -5.63 0 4 0 38 249.701 3 ↓

Analogs

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Popular Name: 2-chloro-4-(4-chloro-2-nitro-phenoxy)-6-methyl-pyrimidine 2-chloro-4-(4-chloro-2-nitro-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) 3.89 6.73 -10.31 0 6 0 81 300.101 3 ↓

Analogs

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Popular Name: 4-(2-bromophenoxy)-2-chloro-6-methyl-pyrimidine 4-(2-bromophenoxy)-2-chloro-6-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) 4.09 5.6 -7.13 0 3 0 35 299.555 2 ↓

Analogs

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Popular Name: 2-chloro-4-(3-ethylphenoxy)-6-methyl-pyrimidine 2-chloro-4-(3-ethylphenoxy)-6-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) 4.22 6.43 -6.45 0 3 0 35 248.713 3 ↓

Analogs

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Popular Name: 4-(2-bromo-4-methyl-phenoxy)-2-chloro-6-methyl-pyrimidine 4-(2-bromo-4-methyl-phenoxy)-2-c…

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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) 4.51 6.27 -6.84 0 3 0 35 313.582 2 ↓

Analogs

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Popular Name: 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine 2-chloro-4-methyl-6-[2-[(E)-prop…

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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) 4.20 6.95 -7.32 0 3 0 35 260.724 3 ↓

Analogs

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Popular Name: 2-chloro-4-(2-chloro-4-fluoro-phenoxy)-6-methyl-pyrimidine 2-chloro-4-(2-chloro-4-fluoro-ph…

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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) 4.10 5.58 -6 0 3 0 35 273.094 2 ↓

Analogs

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Popular Name: 2-chloro-4-(4-chloro-3-methyl-phenoxy)-6-methyl-pyrimidine 2-chloro-4-(4-chloro-3-methyl-ph…

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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) 4.38 6.1 -5.61 0 3 0 35 269.131 2 ↓

Parameters Provided:

ring.id = 21708
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 = 21708 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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