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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: 6-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 6-chloro-N-[[(3R)-1-ethylpyrroli…

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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) 1.92 6.57 -40.61 2 4 1 42 241.746 4 ↓

Analogs

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Popular Name: 6-chloro-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 6-chloro-N-[[(3S)-1-ethylpyrroli…

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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) 1.92 6.59 -40.71 2 4 1 42 241.746 4 ↓

Analogs

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Popular Name: 6-chloro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 6-chloro-N-[[(3R)-1-methylpyrrol…

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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) 1.55 5.85 -41.26 2 4 1 42 227.719 3 ↓

Analogs

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Popular Name: 6-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 6-chloro-N-[[(3S)-1-methylpyrrol…

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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) 1.55 5.86 -41.33 2 4 1 42 227.719 3 ↓

Analogs

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Popular Name: 2-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[[(3R)-1-ethylpyrroli…

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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) 2.34 6.55 -43.32 2 4 1 42 255.773 4 ↓

Analogs

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Popular Name: 2-chloro-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[[(3S)-1-ethylpyrroli…

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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) 2.34 6.56 -43.33 2 4 1 42 255.773 4 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[[(3S)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 5.82 -43.99 2 4 1 42 241.746 3 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[[(3R)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 5.8 -44.12 2 4 1 42 241.746 3 ↓

Analogs

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Popular Name: 2-chloro-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[[(3S)-1-isopropylpyr…

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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) 2.64 7 -42.01 2 4 1 42 269.8 4 ↓

Analogs

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Popular Name: 2-chloro-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[[(3R)-1-isopropylpyr…

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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) 2.64 6.96 -42.16 2 4 1 42 269.8 4 ↓

Analogs

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Popular Name: 6-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[[(3R)-1-ethylpyrroli…

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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) 2.01 6.52 -40.82 2 4 1 42 255.773 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[[(3S)-1-ethylpyrroli…

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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) 2.01 6.53 -40.91 2 4 1 42 255.773 4 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[[(3S)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 5.79 -41.71 2 4 1 42 241.746 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[[(3R)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 5.76 -41.64 2 4 1 42 241.746 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[[(3S)-1-isopropylpyr…

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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) 2.31 6.97 -39.77 2 4 1 42 269.8 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[[(3R)-1-isopropylpyr…

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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) 2.31 7 -39.67 2 4 1 42 269.8 4 ↓

Analogs

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Popular Name: N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2-methyl-pyrimidin-4-amine N-[[(3R)-1-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 6.09 -40.75 2 4 1 42 221.328 4 ↓
Mid Mid (pH 6-8) 0.99 6.54 -81.28 3 4 2 43 222.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-methyl-pyrimidin-4-amine N-[[(3S)-1-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 6.12 -40.74 2 4 1 42 221.328 4 ↓
Mid Mid (pH 6-8) 0.99 6.56 -80.48 3 4 2 43 222.336 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine 2-methyl-N-[[(3S)-1-(2,2,2-trifl…

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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) 1.54 4.04 -8.15 1 4 0 41 274.29 5 ↓
Mid Mid (pH 6-8) 1.54 6.37 -47.7 2 4 1 42 275.298 5 ↓
Mid Mid (pH 6-8) 1.54 4.48 -35.26 2 4 1 42 275.298 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine 2-methyl-N-[[(3R)-1-(2,2,2-trifl…

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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) 1.54 4 -8.13 1 4 0 41 274.29 5 ↓
Mid Mid (pH 6-8) 1.54 6.33 -47.85 2 4 1 42 275.298 5 ↓
Mid Mid (pH 6-8) 1.54 4.44 -34.54 2 4 1 42 275.298 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 2-methyl-N-[[(3S)-1-methylpyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.61 5.37 -41.55 2 4 1 42 207.301 3 ↓
Mid Mid (pH 6-8) 0.61 5.81 -80.54 3 4 2 43 208.309 3 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 2-methyl-N-[[(3R)-1-methylpyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.61 5.38 -41.47 2 4 1 42 207.301 3 ↓
Mid Mid (pH 6-8) 0.61 5.82 -80.49 3 4 2 43 208.309 3 ↓

Analogs

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Popular Name: N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-2-methyl-pyrimidin-4-amine N-[[(3S)-1-isopropylpyrrolidin-3…

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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) 1.29 6.55 -39.55 2 4 1 42 235.355 4 ↓
Mid Mid (pH 6-8) 1.29 6.99 -79.68 3 4 2 43 236.363 4 ↓

Analogs

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Popular Name: N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-2-methyl-pyrimidin-4-amine N-[[(3R)-1-isopropylpyrrolidin-3…

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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) 1.29 6.51 -39.56 2 4 1 42 235.355 4 ↓
Mid Mid (pH 6-8) 1.29 6.95 -79.94 3 4 2 43 236.363 4 ↓

Analogs

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Popular Name: 6-chloro-N4-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine 6-chloro-N4-[[(3R)-1-isopropylpy…

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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 6.45 -39.78 4 5 1 68 270.788 4 ↓

Analogs

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Popular Name: 6-chloro-N4-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine 6-chloro-N4-[[(3S)-1-isopropylpy…

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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 6.45 -39.81 4 5 1 68 270.788 4 ↓

Analogs

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Popular Name: N4-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-6-methyl-pyrimidine-2,4-diamine N4-[[(3S)-1-isopropylpyrrolidin-…

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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) 1.44 6.56 -40.02 4 5 1 68 250.37 4 ↓
Mid Mid (pH 6-8) 1.44 7.01 -76.74 5 5 2 70 251.378 4 ↓

Analogs

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Popular Name: N4-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-6-methyl-pyrimidine-2,4-diamine N4-[[(3R)-1-isopropylpyrrolidin-…

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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) 1.44 6.6 -39.92 4 5 1 68 250.37 4 ↓
Mid Mid (pH 6-8) 1.44 7.05 -76.77 5 5 2 70 251.378 4 ↓

Analogs

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Popular Name: 6-(2-aminoethyl)-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N,2-dimethyl-pyrimidin-4-amine 6-(2-aminoethyl)-N-[[(3R)-1,3-di…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.54 6.81 -85.94 4 5 2 61 279.432 5 ↓
Lo Low (pH 4.5-6) 0.54 7.14 -161.28 5 5 3 62 280.44 5 ↓

Analogs

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Popular Name: 6-(2-aminoethyl)-N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-N,2-dimethyl-pyrimidin-4-amine 6-(2-aminoethyl)-N-[[(3S)-1,3-di…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.54 6.34 -87.77 4 5 2 61 279.432 5 ↓
Lo Low (pH 4.5-6) 0.54 6.69 -158.98 5 5 3 62 280.44 5 ↓

Analogs

38579683
38579683

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Popular Name: 2-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 2-chloro-N-[[(3R)-1-ethylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 5.92 -43.29 2 4 1 42 241.746 4 ↓

Analogs

38579682
38579682

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Popular Name: 2-chloro-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]pyrimidin-4-amine 2-chloro-N-[[(3S)-1-ethylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 5.95 -43.04 2 4 1 42 241.746 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 21860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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