UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethyl-benzenesulfonamide 2-[(2,5-dichloropyrimidin-4-yl)a…

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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 5.54 -8.85 1 6 0 75 347.227 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2-chloro-4-fluoro-phenyl)pyrimidin-4-amine 6-chloro-N-(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) 3.92 7.73 -4.25 1 3 0 38 258.083 2 ↓

Analogs

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Popular Name: 6-chloro-N-ethyl-N-phenyl-pyrimidin-4-amine 6-chloro-N-ethyl-N-phenyl-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) 3.33 8.83 -5.34 0 3 0 29 233.702 3 ↓

Analogs

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Popular Name: 6-chloro-N-ethyl-N-(o-tolyl)pyrimidin-4-amine 6-chloro-N-ethyl-N-(o-tolyl)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) 3.73 9.48 -5.23 0 3 0 29 247.729 3 ↓

Analogs

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Popular Name: 6-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine 6-chloro-N-[2-(difluoromethoxy)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) 3.71 6.75 -7.45 1 4 0 47 271.654 4 ↓

Analogs

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Popular Name: 3-(N-(6-chloropyrimidin-4-yl)anilino)propanenitrile 3-(N-(6-chloropyrimidin-4-yl)ani…

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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 8.54 -8.08 0 4 0 53 258.712 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine 6-chloro-N-(2,3-dichlorophenyl)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) 4.41 8.12 -4.89 1 3 0 38 274.538 2 ↓

Analogs

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Popular Name: 6-chloro-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine 6-chloro-N-[3-(trifluoromethoxy)…

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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 6.76 -5.26 1 4 0 47 289.644 4 ↓

Analogs

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Popular Name: 6-chloro-N-(3-chloro-4-fluoro-phenyl)pyrimidin-4-amine 6-chloro-N-(3-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) 3.92 7.53 -5.86 1 3 0 38 258.083 2 ↓

Analogs

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Popular Name: N-(2-bromo-4-fluoro-phenyl)-6-chloro-pyrimidin-4-amine N-(2-bromo-4-fluoro-phenyl)-6-ch…

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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) 4.05 7.85 -4.16 1 3 0 38 302.534 2 ↓

Analogs

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Popular Name: 6-chloro-N-(2-fluoro-5-methyl-phenyl)pyrimidin-4-amine 6-chloro-N-(2-fluoro-5-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) 3.69 7.85 -5.14 1 3 0 38 237.665 2 ↓

Analogs

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Popular Name: 6-chloro-N-(2,6-difluorophenyl)pyrimidin-4-amine 6-chloro-N-(2,6-difluorophenyl)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) 3.38 6.27 -7.14 1 3 0 38 241.628 2 ↓

Analogs

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Popular Name: 6-chloro-N-(3-chloro-2-fluoro-phenyl)pyrimidin-4-amine 6-chloro-N-(3-chloro-2-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) 3.89 7.67 -5.5 1 3 0 38 258.083 2 ↓

Analogs

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Popular Name: 6-chloro-N-(4-isopropoxyphenyl)pyrimidin-4-amine 6-chloro-N-(4-isopropoxyphenyl)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) 3.94 7.78 -6.52 1 4 0 47 263.728 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2,4-dichlorophenyl)pyrimidin-4-amine 6-chloro-N-(2,4-dichlorophenyl)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) 4.43 8.17 -3.88 1 3 0 38 274.538 2 ↓

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-6-chloro-pyrimidin-4-amine N-(4-bromo-2-methyl-phenyl)-6-ch…

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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 8.47 -5.32 1 3 0 38 298.571 2 ↓

Analogs

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Popular Name: 6-chloro-N-(4-chloro-2,5-dimethoxy-phenyl)pyrimidin-4-amine 6-chloro-N-(4-chloro-2,5-dimetho…

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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 6.34 -6.77 1 5 0 56 300.145 4 ↓

Analogs

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Popular Name: 6-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine 6-chloro-N-(4-methylsulfanylphen…

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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) 3.58 7.98 -6.1 1 3 0 38 251.742 3 ↓

Analogs

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Popular Name: 6-chloro-N-(2,5-diethoxyphenyl)pyrimidin-4-amine 6-chloro-N-(2,5-diethoxyphenyl)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) 3.94 7.63 -6.88 1 5 0 56 293.754 6 ↓

Analogs

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Popular Name: 6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidin-4-amine 6-chloro-N-[2-(difluoromethylsul…

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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 8.44 -6.46 1 3 0 38 287.722 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2-isopropylphenyl)pyrimidin-4-amine 6-chloro-N-(2-isopropylphenyl)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) 4.14 7.91 -4.05 1 3 0 38 247.729 3 ↓

Analogs

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Popular Name: 6-chloro-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine 6-chloro-N-(2,3,4-trifluoropheny…

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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) 3.50 7.29 -6.26 1 3 0 38 259.618 2 ↓

Analogs

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Popular Name: 6-chloro-N-(2,5-difluorophenyl)pyrimidin-4-amine 6-chloro-N-(2,5-difluorophenyl)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) 3.40 7.24 -5.2 1 3 0 38 241.628 2 ↓

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-6-chloro-pyrimidin-4-amine N-(4-bromo-3-methyl-phenyl)-6-ch…

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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 8.15 -5.43 1 3 0 38 298.571 2 ↓

Analogs

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Popular Name: 6-chloro-N-(2,5-dichlorophenyl)pyrimidin-4-amine 6-chloro-N-(2,5-dichlorophenyl)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) 4.43 8.18 -4.32 1 3 0 38 274.538 2 ↓

Analogs

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Popular Name: 6-chloro-N-(3-chloro-4-methyl-phenyl)pyrimidin-4-amine 6-chloro-N-(3-chloro-4-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) 4.20 8.07 -5.02 1 3 0 38 254.12 2 ↓

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-6-chloro-pyrimidin-4-amine N-(2-bromo-4-methyl-phenyl)-6-ch…

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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 8.45 -4.38 1 3 0 38 298.571 2 ↓

Analogs

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Popular Name: 6-chloro-N-(2-methoxyphenyl)pyrimidin-4-amine 6-chloro-N-(2-methoxyphenyl)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) 3.16 6.47 -5.81 1 4 0 47 235.674 3 ↓

Analogs

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Popular Name: 6-chloro-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine 6-chloro-N-(2,5-dimethoxyphenyl)…

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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) 3.19 5.78 -7.38 1 5 0 56 265.7 4 ↓

Analogs

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Popular Name: 6-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine 6-chloro-N-[4-chloro-2-(trifluor…

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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) 4.65 8.77 -4.13 1 3 0 38 308.09 3 ↓

Analogs

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Popular Name: 6-chloro-N-(5-chloro-2,4-dimethoxy-phenyl)pyrimidin-4-amine 6-chloro-N-(5-chloro-2,4-dimetho…

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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 6.34 -7.57 1 5 0 56 300.145 4 ↓

Analogs

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Popular Name: 6-chloro-N-(3,5-dichlorophenyl)pyrimidin-4-amine 6-chloro-N-(3,5-dichlorophenyl)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) 4.43 7.99 -4.95 1 3 0 38 274.538 2 ↓

Analogs

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Popular Name: 6-chloro-N-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine 6-chloro-N-[2-(trifluoromethoxy)…

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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) 4.07 6.97 -4.77 1 4 0 47 289.644 4 ↓

Analogs

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Popular Name: 6-chloro-N-(5-chloro-2-methoxy-phenyl)pyrimidin-4-amine 6-chloro-N-(5-chloro-2-methoxy-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 6.99 -5.84 1 4 0 47 270.119 3 ↓

Analogs

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Popular Name: 6-chloro-N-(2-methoxy-5-methyl-phenyl)pyrimidin-4-amine 6-chloro-N-(2-methoxy-5-methyl-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) 3.58 7.16 -5.82 1 4 0 47 249.701 3 ↓

Analogs

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Popular Name: 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidin-4-amine 6-chloro-N-[2-chloro-5-(trifluor…

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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) 4.65 8.68 -4.92 1 3 0 38 308.09 3 ↓

Analogs

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Popular Name: 6-chloro-N-(4-iodophenyl)pyrimidin-4-amine 6-chloro-N-(4-iodophenyl)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) 4.23 8.06 -5.17 1 3 0 38 331.544 2 ↓

Analogs

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Popular Name: 6-chloro-N-(3-iodophenyl)pyrimidin-4-amine 6-chloro-N-(3-iodophenyl)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) 4.21 8.06 -4.73 1 3 0 38 331.544 2 ↓

Analogs

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Popular Name: 6-chloro-N-(2-iodophenyl)pyrimidin-4-amine 6-chloro-N-(2-iodophenyl)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) 4.18 8.27 -4.25 1 3 0 38 331.544 2 ↓

Analogs

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Popular Name: 6-chloro-N-(3-chloro-4-methoxy-phenyl)pyrimidin-4-amine 6-chloro-N-(3-chloro-4-methoxy-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 6.81 -6.75 1 4 0 47 270.119 3 ↓

Analogs

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Popular Name: 6-chloro-N-(4-chloro-2-methoxy-5-methyl-phenyl)pyrimidin-4-amine 6-chloro-N-(4-chloro-2-methoxy-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) 4.19 7.58 -5.23 1 4 0 47 284.146 3 ↓

Analogs

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Popular Name: 6-chloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine 6-chloro-N-[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) 4.00 8.25 -5.07 1 3 0 38 273.645 3 ↓

Analogs

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Popular Name: 6-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine 6-chloro-N-[3-(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) 4.02 7.98 -7.28 1 3 0 38 273.645 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3-chloro-2-methyl-phenyl)pyrimidin-4-amine 6-chloro-N-(3-chloro-2-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) 4.18 8.3 -5.03 1 3 0 38 254.12 2 ↓

Analogs

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Popular Name: 6-chloro-N-(4-methylsulfonylphenyl)pyrimidin-4-amine 6-chloro-N-(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) 2.02 4.51 -13.52 1 5 0 72 283.74 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine 6-chloro-N-(3,4-difluorophenyl)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) 3.40 7.08 -6.55 1 3 0 38 241.628 2 ↓

Analogs

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Popular Name: 6-chloro-N-(2,4-dimethylphenyl)pyrimidin-4-amine 6-chloro-N-(2,4-dimethylphenyl)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) 3.97 8.52 -5.36 1 3 0 38 233.702 2 ↓

Analogs

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Popular Name: 6-chloro-N-(3-fluorophenyl)pyrimidin-4-amine 6-chloro-N-(3-fluorophenyl)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) 3.29 7.03 -5.46 1 3 0 38 223.638 2 ↓

Analogs

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Popular Name: 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine 6-chloro-N-(4-chlorophenyl)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) 3.83 7.48 -5.44 1 3 0 38 240.093 2 ↓

Analogs

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Popular Name: 2-[(6-chloropyrimidin-4-yl)amino]benzonitrile 2-[(6-chloropyrimidin-4-yl)amino…

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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) 2.85 7.48 -6.9 1 4 0 62 230.658 2 ↓

Parameters Provided:

ring.id = 20245
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 = 20245 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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