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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]benzamide 3-[[6-[4-(trifluoromethoxy)anili…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABL1-1-E Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic Eukaryotes 2920 0.28 Binding ≤ 10μM
BCR-1-E Breakpoint Cluster Region Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 2920 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BCR_HUMAN P11274 Breakpoint Cluster Region Protein, Human 2920 0.28 Binding ≤ 10μM
ABL1_HUMAN P00519 Tyrosine-protein Kinase ABL, Human 2920 0.28 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.23 7.19 -12.56 4 7 0 102 389.337 7 ↓

Analogs

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Popular Name: N4,N6-bis(4-bromo-2-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine N4,N6-bis(4-bromo-2-fluoro-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) 6.15 13.2 -7.54 2 7 0 96 501.085 5 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-N4-(3-bromophenyl)-5-nitro-pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-N4-…

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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) 6.03 13.09 -6.45 2 7 0 96 483.095 5 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-N4-…

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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) 6.75 13.87 -7.74 2 7 0 96 506.641 6 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-N4-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-N4-…

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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) 6.02 13.05 -7.07 2 7 0 96 456.634 5 ↓

Analogs

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Popular Name: N-[4-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide N-[4-[[6-(4-bromo-2-fluoro-anili…

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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) 4.47 11.23 -12.88 3 9 0 125 461.251 6 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-N4-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-N4-…

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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) 5.90 11.77 -9.09 2 9 0 114 498.696 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.77 14.02 -9.91 2 9 0 122 476.262 8 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-5-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) 6.22 12.27 -6.57 2 8 0 105 488.195 7 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-5-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) 6.14 13.47 -7.06 2 7 0 96 472.196 6 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-N4-(2,5-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-N4-…

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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) 5.50 12.64 -7.36 2 7 0 96 440.179 5 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-N4-(2,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-N4-…

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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) 5.50 12.64 -7.81 2 7 0 96 440.179 5 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-N4-(3,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-N4-…

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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) 5.50 12.6 -7.71 2 7 0 96 440.179 5 ↓

Analogs

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Popular Name: methyl 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) 5.36 13.83 -10.63 1 9 0 113 476.262 7 ↓

Analogs

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Popular Name: N6-(4-bromo-2-fluoro-phenyl)-N4-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine N6-(4-bromo-2-fluoro-phenyl)-N4-…

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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) 5.63 12.84 -8.65 2 8 0 105 448.252 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.93 14.19 -12.14 2 9 0 122 476.262 8 ↓

Analogs

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Popular Name: 4-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoic 4-[[6-(4-bromo-2-fluoro-anilino)…

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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) 5.16 13 -48.4 2 9 -1 136 447.2 6 ↓

Analogs

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Popular Name: N4,N6-bis(3-bromophenyl)-5-nitro-pyrimidine-4,6-diamine N4,N6-bis(3-bromophenyl)-5-nitro…

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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) 5.92 12.82 -6.61 2 7 0 96 465.105 5 ↓

Analogs

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Popular Name: N4-(3-bromophenyl)-N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine N4-(3-bromophenyl)-N6-[4-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) 6.64 13.61 -6.98 2 7 0 96 488.651 6 ↓

Analogs

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Popular Name: N4-(3-bromophenyl)-N6-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine N4-(3-bromophenyl)-N6-(3-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) 5.90 12.76 -7.11 2 7 0 96 438.644 5 ↓

Analogs

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Popular Name: N-[4-[[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide N-[4-[[6-(3-bromoanilino)-5-nitr…

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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) 4.35 11.15 -12.87 3 9 0 125 443.261 6 ↓

Analogs

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Popular Name: N6-(3-bromophenyl)-N4-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine N6-(3-bromophenyl)-N4-(5-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) 5.78 11.59 -9.09 2 9 0 114 480.706 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.66 13.76 -10.28 2 9 0 122 458.272 8 ↓

Analogs

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Popular Name: N4-(3-bromophenyl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine N4-(3-bromophenyl)-5-nitro-N6-[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.10 11.98 -6.46 2 8 0 105 470.205 7 ↓

Analogs

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Popular Name: N4-(3-bromophenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine N4-(3-bromophenyl)-5-nitro-N6-[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.03 13.19 -6.66 2 7 0 96 454.206 6 ↓

Analogs

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Popular Name: N4-(3-bromophenyl)-N6-(2,5-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine N4-(3-bromophenyl)-N6-(2,5-diflu…

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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) 5.39 12.55 -6.8 2 7 0 96 422.189 5 ↓

Analogs

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Popular Name: N4-(3-bromophenyl)-N6-(2,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine N4-(3-bromophenyl)-N6-(2,4-diflu…

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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) 5.39 12.54 -6.78 2 7 0 96 422.189 5 ↓

Analogs

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Popular Name: N4-(3-bromophenyl)-N6-(3,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine N4-(3-bromophenyl)-N6-(3,4-diflu…

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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) 5.39 12.31 -7.93 2 7 0 96 422.189 5 ↓

Analogs

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Popular Name: methyl 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) 5.24 13.7 -11.54 1 9 0 113 458.272 7 ↓

Analogs

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Popular Name: N6-(3-bromophenyl)-N4-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine N6-(3-bromophenyl)-N4-(2-ethoxyp…

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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) 5.52 12.66 -8.35 2 8 0 105 430.262 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.81 14.07 -11.42 2 9 0 122 458.272 8 ↓

Analogs

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Popular Name: 4-[[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic 4-[[6-(3-bromoanilino)-5-nitro-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) 5.04 12.64 -49.23 2 9 -1 136 429.21 6 ↓

Analogs

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Popular Name: N4-(3-chloro-4-fluoro-phenyl)-N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine N4-(3-chloro-4-fluoro-phenyl)-N6…

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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) 6.62 13.56 -7.71 2 7 0 96 462.19 6 ↓

Analogs

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Popular Name: N-[4-[[6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide N-[4-[[6-[4-chloro-3-(trifluorom…

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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) 5.07 11.93 -13.31 3 9 0 125 466.807 7 ↓

Analogs

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Popular Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-di N4-(5-chloro-2,4-dimethoxy-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) 6.50 12.39 -9.55 2 9 0 114 504.252 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 6.37 14.55 -10.3 2 9 0 122 481.818 9 ↓

Analogs

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Popular Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamin N6-[4-chloro-3-(trifluoromethyl)…

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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) 6.82 12.77 -7.15 2 8 0 105 493.751 8 ↓

Analogs

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Popular Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine N6-[4-chloro-3-(trifluoromethyl)…

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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) 6.75 13.99 -7.59 2 7 0 96 477.752 7 ↓

Analogs

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Popular Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-(2,5-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine N4-[4-chloro-3-(trifluoromethyl)…

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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) 6.11 13.31 -7.6 2 7 0 96 445.735 6 ↓

Analogs

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Popular Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-(2,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine N4-[4-chloro-3-(trifluoromethyl)…

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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) 6.11 13.31 -8.05 2 7 0 96 445.735 6 ↓

Analogs

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Popular Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(3,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine N6-[4-chloro-3-(trifluoromethyl)…

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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) 6.11 13.11 -8.45 2 7 0 96 445.735 6 ↓

Analogs

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Popular Name: methyl 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) 5.96 14.5 -10.87 1 9 0 113 481.818 8 ↓

Analogs

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Popular Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine N6-[4-chloro-3-(trifluoromethyl)…

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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) 6.23 13.46 -8.82 2 8 0 105 453.808 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 6.53 14.87 -12.17 2 9 0 122 481.818 9 ↓

Analogs

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Popular Name: 4-[[6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]amino]benzoic 4-[[6-[4-chloro-3-(trifluorometh…

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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) 5.76 13.53 -48.8 2 9 -1 136 452.756 7 ↓

Analogs

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Popular Name: N4,N6-bis(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine N4,N6-bis(3-chloro-4-fluoro-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) 5.89 12.71 -7.8 2 7 0 96 412.183 5 ↓

Analogs

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Popular Name: N-[4-[[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide N-[4-[[6-(3-chloro-4-fluoro-anil…

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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 11.09 -13.28 3 9 0 125 416.8 6 ↓

Analogs

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Popular Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine N4-(5-chloro-2,4-dimethoxy-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) 5.77 11.54 -9.53 2 9 0 114 454.245 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.64 13.7 -10.68 2 9 0 122 431.811 8 ↓

Analogs

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Popular Name: N6-(3-chloro-4-fluoro-phenyl)-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine N6-(3-chloro-4-fluoro-phenyl)-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) 6.09 11.92 -6.9 2 8 0 105 443.744 7 ↓

Parameters Provided:

ring.id = 365900
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 = 365900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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