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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: [2-(8-quinolyl)pyrimidin-4-yl]hydrazine [2-(8-quinolyl)pyrimidin-4-yl]hy…

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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) 1.45 5.55 -13.42 3 5 0 77 237.266 2 ↓

Analogs

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Popular Name: 2-(8-quinolyl)pyrimidin-5-amine 2-(8-quinolyl)pyrimidin-5-amine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 4.79 -12.92 2 4 0 65 222.251 1 ↓

Analogs

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Popular Name: 8-(4-chloro-6-propyl-pyrimidin-2-yl)quinoline 8-(4-chloro-6-propyl-pyrimidin-2…

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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) 4.40 9.49 -10.98 0 3 0 39 283.762 3 ↓

Analogs

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Popular Name: 8-(4-chloro-6-isopropyl-pyrimidin-2-yl)quinoline 8-(4-chloro-6-isopropyl-pyrimidi…

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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 9.13 -10.93 0 3 0 39 283.762 2 ↓

Analogs

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Popular Name: 8-(4-tert-butyl-6-chloro-pyrimidin-2-yl)quinoline 8-(4-tert-butyl-6-chloro-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) 5.05 9.89 -10.76 0 3 0 39 297.789 2 ↓

Analogs

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Popular Name: 8-(4-chloro-6-ethyl-pyrimidin-2-yl)quinoline 8-(4-chloro-6-ethyl-pyrimidin-2-…

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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 8.71 -11.25 0 3 0 39 269.735 2 ↓

Analogs

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Popular Name: 8-(4-chloropyrimidin-2-yl)quinoline 8-(4-chloropyrimidin-2-yl)quinoline

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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) 2.89 7.32 -10.87 0 3 0 39 241.681 1 ↓

Analogs

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Popular Name: 8-(4-chloro-5,6-dimethyl-pyrimidin-2-yl)quinoline 8-(4-chloro-5,6-dimethyl-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) 3.70 8.38 -12.47 0 3 0 39 269.735 1 ↓

Analogs

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Popular Name: 8-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]quinoline 8-[4-chloro-6-(methoxymethyl)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) 3.30 7.12 -11.15 0 4 0 48 285.734 3 ↓

Analogs

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Popular Name: 8-(4-chloro-5-isopropyl-6-methyl-pyrimidin-2-yl)quinoline 8-(4-chloro-5-isopropyl-6-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) 4.29 9.42 -11.91 0 3 0 39 297.789 2 ↓

Analogs

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Popular Name: 8-(4-chloro-6-ethyl-5-methyl-pyrimidin-2-yl)quinoline 8-(4-chloro-6-ethyl-5-methyl-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) 4.28 9.11 -12.08 0 3 0 39 283.762 2 ↓

Analogs

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Popular Name: 8-(4,6-dichloropyrimidin-2-yl)quinoline 8-(4,6-dichloropyrimidin-2-yl)qu…

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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) 3.91 7.72 -9.16 0 3 0 39 276.126 1 ↓

Analogs

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Popular Name: 8-(4,6-dichloro-5-methyl-pyrimidin-2-yl)quinoline 8-(4,6-dichloro-5-methyl-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) 4.28 8.22 -9.6 0 3 0 39 290.153 1 ↓

Analogs

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Popular Name: 8-(4,6-dichloro-5-ethyl-pyrimidin-2-yl)quinoline 8-(4,6-dichloro-5-ethyl-pyrimidi…

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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) 4.75 8.97 -9.41 0 3 0 39 304.18 2 ↓

Analogs

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Popular Name: 8-(4,6-dichloro-5-propyl-pyrimidin-2-yl)quinoline 8-(4,6-dichloro-5-propyl-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) 5.14 9.75 -9.18 0 3 0 39 318.207 3 ↓

Analogs

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Popular Name: 8-(4,6-dichloro-5-isopropyl-pyrimidin-2-yl)quinoline 8-(4,6-dichloro-5-isopropyl-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) 4.87 9.26 -9.36 0 3 0 39 318.207 2 ↓

Analogs

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Popular Name: N,6-dimethyl-2-(8-quinolyl)pyrimidin-4-amine N,6-dimethyl-2-(8-quinolyl)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) 2.51 7.19 -12.98 1 4 0 51 250.305 2 ↓
Mid Mid (pH 6-8) 2.51 7.51 -29.03 2 4 1 52 251.313 2 ↓

Analogs

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Popular Name: N-ethyl-6-methyl-2-(8-quinolyl)pyrimidin-4-amine N-ethyl-6-methyl-2-(8-quinolyl)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) 2.88 8 -12.57 1 4 0 51 264.332 3 ↓
Mid Mid (pH 6-8) 2.88 8.33 -28.76 2 4 1 52 265.34 3 ↓

Analogs

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Popular Name: 6-methyl-N-propyl-2-(8-quinolyl)pyrimidin-4-amine 6-methyl-N-propyl-2-(8-quinolyl)…

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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 8.77 -12.23 1 4 0 51 278.359 4 ↓
Mid Mid (pH 6-8) 3.38 9.09 -28.64 2 4 1 52 279.367 4 ↓

Analogs

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Popular Name: N-methyl-6-propyl-2-(8-quinolyl)pyrimidin-4-amine N-methyl-6-propyl-2-(8-quinolyl)…

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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 8.75 -12.28 1 4 0 51 278.359 4 ↓
Mid Mid (pH 6-8) 3.58 9.02 -28.05 2 4 1 52 279.367 4 ↓

Analogs

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Popular Name: 6-ethyl-N-methyl-2-(8-quinolyl)pyrimidin-4-amine 6-ethyl-N-methyl-2-(8-quinolyl)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) 3.08 7.97 -12.59 1 4 0 51 264.332 3 ↓
Mid Mid (pH 6-8) 3.08 8.24 -27.94 2 4 1 52 265.34 3 ↓

Analogs

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Popular Name: N,6-diethyl-2-(8-quinolyl)pyrimidin-4-amine N,6-diethyl-2-(8-quinolyl)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) 3.45 8.78 -12.1 1 4 0 51 278.359 4 ↓
Mid Mid (pH 6-8) 3.45 9.05 -27.65 2 4 1 52 279.367 4 ↓

Analogs

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Popular Name: 6-isopropyl-N-methyl-2-(8-quinolyl)pyrimidin-4-amine 6-isopropyl-N-methyl-2-(8-quinol…

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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) 3.56 8.41 -12.67 1 4 0 51 278.359 3 ↓
Mid Mid (pH 6-8) 3.56 8.72 -26.93 2 4 1 52 279.367 3 ↓

Analogs

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Popular Name: N-methyl-2-(8-quinolyl)pyrimidin-4-amine N-methyl-2-(8-quinolyl)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) 2.07 6.58 -12.66 1 4 0 51 236.278 2 ↓
Lo Low (pH 4.5-6) 2.07 6.94 -32.62 2 4 1 52 237.286 2 ↓

Analogs

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Popular Name: N-ethyl-2-(8-quinolyl)pyrimidin-4-amine N-ethyl-2-(8-quinolyl)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) 2.44 7.39 -12.16 1 4 0 51 250.305 3 ↓
Lo Low (pH 4.5-6) 2.44 7.75 -32.42 2 4 1 52 251.313 3 ↓

Analogs

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Popular Name: N-propyl-2-(8-quinolyl)pyrimidin-4-amine N-propyl-2-(8-quinolyl)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) 2.94 8.15 -11.86 1 4 0 51 264.332 4 ↓
Lo Low (pH 4.5-6) 2.94 8.52 -32.36 2 4 1 52 265.34 4 ↓

Analogs

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Popular Name: N,5,6-trimethyl-2-(8-quinolyl)pyrimidin-4-amine N,5,6-trimethyl-2-(8-quinolyl)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) 2.88 8.09 -13.35 1 4 0 51 264.332 2 ↓
Mid Mid (pH 6-8) 2.88 8.41 -28 2 4 1 52 265.34 2 ↓

Analogs

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Popular Name: N-ethyl-5,6-dimethyl-2-(8-quinolyl)pyrimidin-4-amine N-ethyl-5,6-dimethyl-2-(8-quinol…

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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) 3.26 8.9 -13.23 1 4 0 51 278.359 3 ↓
Mid Mid (pH 6-8) 3.26 9.23 -27.49 2 4 1 52 279.367 3 ↓

Analogs

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Popular Name: 6-methyl-2-(8-quinolyl)pyrimidin-4-amine 6-methyl-2-(8-quinolyl)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) 2.13 6.27 -12.74 2 4 0 65 236.278 1 ↓
Mid Mid (pH 6-8) 2.13 6.59 -29.65 3 4 1 66 237.286 1 ↓

Analogs

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Popular Name: 5-ethyl-6-methyl-2-(8-quinolyl)pyrimidin-4-amine 5-ethyl-6-methyl-2-(8-quinolyl)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) 2.97 7.67 -12.77 2 4 0 65 264.332 2 ↓
Mid Mid (pH 6-8) 2.97 7.99 -28.37 3 4 1 66 265.34 2 ↓

Analogs

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Popular Name: 6-propyl-2-(8-quinolyl)pyrimidin-4-amine 6-propyl-2-(8-quinolyl)pyrimidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 7.84 -12.05 2 4 0 65 264.332 3 ↓
Mid Mid (pH 6-8) 3.21 8.1 -28.85 3 4 1 66 265.34 3 ↓

Analogs

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Popular Name: 6-tert-butyl-2-(8-quinolyl)pyrimidin-4-amine 6-tert-butyl-2-(8-quinolyl)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) 3.86 8.25 -11.98 2 4 0 65 278.359 2 ↓
Lo Low (pH 4.5-6) 3.86 8.37 -26.63 3 4 1 66 279.367 2 ↓

Analogs

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Popular Name: 6-ethyl-2-(8-quinolyl)pyrimidin-4-amine 6-ethyl-2-(8-quinolyl)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) 2.70 7.06 -12.28 2 4 0 65 250.305 2 ↓
Mid Mid (pH 6-8) 2.70 7.32 -28.69 3 4 1 66 251.313 2 ↓

Analogs

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Popular Name: 6-isopropyl-2-(8-quinolyl)pyrimidin-4-amine 6-isopropyl-2-(8-quinolyl)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) 3.19 7.49 -12.3 2 4 0 65 264.332 2 ↓
Lo Low (pH 4.5-6) 3.19 7.81 -27.67 3 4 1 66 265.34 2 ↓

Analogs

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Popular Name: 2-(8-quinolyl)pyrimidin-4-amine 2-(8-quinolyl)pyrimidin-4-amine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 5.66 -12.61 2 4 0 65 222.251 1 ↓
Lo Low (pH 4.5-6) 1.69 6.02 -33.32 3 4 1 66 223.259 1 ↓

Analogs

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Popular Name: 5,6-dimethyl-2-(8-quinolyl)pyrimidin-4-amine 5,6-dimethyl-2-(8-quinolyl)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) 2.51 6.92 -13.26 2 4 0 65 250.305 1 ↓
Mid Mid (pH 6-8) 2.51 7.24 -28.71 3 4 1 66 251.313 1 ↓

Analogs

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Popular Name: 6-(methoxymethyl)-2-(8-quinolyl)pyrimidin-4-amine 6-(methoxymethyl)-2-(8-quinolyl)…

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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 5.47 -12.22 2 5 0 74 266.304 3 ↓
Lo Low (pH 4.5-6) 2.10 5.81 -29.03 3 5 1 75 267.312 3 ↓

Analogs

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Popular Name: 6-(methoxymethyl)-N-methyl-2-(8-quinolyl)pyrimidin-4-amine 6-(methoxymethyl)-N-methyl-2-(8-…

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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) 2.48 6.4 -12.65 1 5 0 60 280.331 4 ↓
Lo Low (pH 4.5-6) 2.48 6.73 -28.35 2 5 1 61 281.339 4 ↓

Analogs

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Popular Name: 5-isopropyl-6-methyl-2-(8-quinolyl)pyrimidin-4-amine 5-isopropyl-6-methyl-2-(8-quinol…

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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 8.41 -12.61 2 4 0 65 278.359 2 ↓
Mid Mid (pH 6-8) 3.10 8.73 -28.04 3 4 1 66 279.367 2 ↓

Analogs

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Popular Name: 6-ethyl-N,5-dimethyl-2-(8-quinolyl)pyrimidin-4-amine 6-ethyl-N,5-dimethyl-2-(8-quinol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 8.82 -13.04 1 4 0 51 278.359 3 ↓
Mid Mid (pH 6-8) 3.46 9.07 -26.85 2 4 1 52 279.367 3 ↓

Analogs

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Popular Name: 6-ethyl-5-methyl-2-(8-quinolyl)pyrimidin-4-amine 6-ethyl-5-methyl-2-(8-quinolyl)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) 3.08 7.65 -12.98 2 4 0 65 264.332 2 ↓
Mid Mid (pH 6-8) 3.08 7.9 -27.61 3 4 1 66 265.34 2 ↓

Analogs

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Popular Name: [6-methyl-2-(8-quinolyl)pyrimidin-4-yl]hydrazine [6-methyl-2-(8-quinolyl)pyrimidi…

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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 6.15 -13.13 3 5 0 77 251.293 2 ↓

Analogs

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Popular Name: [5-ethyl-6-methyl-2-(8-quinolyl)pyrimidin-4-yl]hydrazine [5-ethyl-6-methyl-2-(8-quinolyl)…

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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 7.5 -13.14 3 5 0 77 279.347 3 ↓

Analogs

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Popular Name: [6-propyl-2-(8-quinolyl)pyrimidin-4-yl]hydrazine [6-propyl-2-(8-quinolyl)pyrimidi…

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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) 2.97 7.72 -12.36 3 5 0 77 279.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-ethyl-2-(8-quinolyl)pyrimidin-4-yl]hydrazine [6-ethyl-2-(8-quinolyl)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) 2.46 6.94 -12.6 3 5 0 77 265.32 3 ↓

Analogs

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Popular Name: [6-isopropyl-2-(8-quinolyl)pyrimidin-4-yl]hydrazine [6-isopropyl-2-(8-quinolyl)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) 2.95 7.38 -12.59 3 5 0 77 279.347 3 ↓

Analogs

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Popular Name: [5,6-dimethyl-2-(8-quinolyl)pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-(8-quinolyl)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) 2.27 6.75 -13.58 3 5 0 77 265.32 2 ↓

Analogs

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Popular Name: [6-(methoxymethyl)-2-(8-quinolyl)pyrimidin-4-yl]hydrazine [6-(methoxymethyl)-2-(8-quinolyl…

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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 5.36 -12.46 3 6 0 86 281.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-ethyl-5-methyl-2-(8-quinolyl)pyrimidin-4-yl]hydrazine [6-ethyl-5-methyl-2-(8-quinolyl)…

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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) 2.84 7.48 -13.28 3 5 0 77 279.347 3 ↓

Parameters Provided:

ring.id = 264627
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 = 264627 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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