UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [5,6-dimethyl-2-(2-naphthyl)pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-(2-naphthyl)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) 3.49 7.94 -10.13 3 4 0 64 264.332 2 ↓

Analogs

20550156
20550156

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Popular Name: 4-chloro-6-isopropyl-2-(2-naphthyl)pyrimidine 4-chloro-6-isopropyl-2-(2-naphth…

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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) 5.61 10.33 -6.39 0 2 0 26 282.774 2 ↓

Analogs

20550156
20550156

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Popular Name: 4-tert-butyl-6-chloro-2-(2-naphthyl)pyrimidine 4-tert-butyl-6-chloro-2-(2-napht…

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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) 6.28 11.08 -6.21 0 2 0 26 296.801 2 ↓

Analogs

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Popular Name: 4-chloro-6-ethyl-2-(6-methoxy-2-naphthyl)pyrimidine 4-chloro-6-ethyl-2-(6-methoxy-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) 5.16 9.2 -7.39 0 3 0 35 298.773 3 ↓

Analogs

20550156
20550156
300158
300158

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Popular Name: 4-chloro-6-ethyl-2-(2-naphthyl)pyrimidine 4-chloro-6-ethyl-2-(2-naphthyl)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) 5.13 9.9 -6.72 0 2 0 26 268.747 2 ↓

Analogs

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Popular Name: 4-methyl-2-(2-naphthyl)pyrimidine-5-carboxylic 4-methyl-2-(2-naphthyl)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) 3.09 9.17 -43.61 0 4 -1 66 263.276 2 ↓

Analogs

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Popular Name: 4-ethyl-2-(2-naphthyl)pyrimidine-5-carboxylic 4-ethyl-2-(2-naphthyl)pyrimidine…

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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) 3.66 9.79 -43.67 0 4 -1 66 277.303 3 ↓

Analogs

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Popular Name: [2-(2-naphthyl)pyrimidin-4-yl]methanamine [2-(2-naphthyl)pyrimidin-4-yl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.73 6.04 -51.07 3 3 1 53 236.298 2 ↓
Mid Mid (pH 6-8) 2.73 5.64 -9.19 2 3 0 52 235.29 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(2-naphthyl)pyrimidin-4-yl]methanamine N-methyl-1-[2-(2-naphthyl)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) 3.11 7.92 -45.41 2 3 1 42 250.325 3 ↓
Mid Mid (pH 6-8) 3.11 6.47 -7.41 1 3 0 38 249.317 3 ↓

Analogs

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Popular Name: N-[[2-(2-naphthyl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(2-naphthyl)pyrimidin-4-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) 3.48 8.78 -44.56 2 3 1 42 264.352 4 ↓
Mid Mid (pH 6-8) 3.48 7.41 -7.2 1 3 0 38 263.344 4 ↓

Analogs

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Popular Name: N-[[2-(2-naphthyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(2-naphthyl)pyrimidin-4-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) 3.99 9.53 -45.42 2 3 1 42 278.379 5 ↓
Mid Mid (pH 6-8) 3.99 8.17 -7.06 1 3 0 38 277.371 5 ↓

Analogs

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Popular Name: N-[[2-(2-naphthyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(2-naphthyl)pyrimidin-4-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) 3.78 9.31 -42.5 2 3 1 42 278.379 4 ↓
Hi High (pH 8-9.5) 3.78 8.08 -6.97 1 3 0 38 277.371 4 ↓

Analogs

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Popular Name: [2-(2-naphthyl)pyrimidin-4-yl]methanol [2-(2-naphthyl)pyrimidin-4-yl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 5.5 -8.69 1 3 0 46 236.274 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(2-naphthyl)pyrimidine 4-(chloromethyl)-2-(2-naphthyl)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) 4.13 9.27 -8.68 0 2 0 26 254.72 2 ↓

Analogs

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Popular Name: [6-methyl-2-(2-naphthyl)pyrimidin-4-yl]methanol [6-methyl-2-(2-naphthyl)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) 3.33 6.1 -9.02 1 3 0 46 250.301 2 ↓

Analogs

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Popular Name: 6-methyl-2-(2-naphthyl)pyrimidine-4-carbaldehyde 6-methyl-2-(2-naphthyl)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) 3.78 8.39 -15.47 0 3 0 43 248.285 2 ↓

Analogs

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Popular Name: [6-methyl-2-(2-naphthyl)pyrimidin-4-yl]methanamine [6-methyl-2-(2-naphthyl)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) 3.17 6.64 -51.01 3 3 1 53 250.325 2 ↓
Mid Mid (pH 6-8) 3.17 6.24 -7.93 2 3 0 52 249.317 2 ↓

Analogs

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Popular Name: N-methyl-1-[6-methyl-2-(2-naphthyl)pyrimidin-4-yl]methanamine N-methyl-1-[6-methyl-2-(2-naphth…

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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) 3.55 8.51 -45.26 2 3 1 42 264.352 3 ↓
Mid Mid (pH 6-8) 3.55 7.07 -8.77 1 3 0 38 263.344 3 ↓

Analogs

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Popular Name: N-[[6-methyl-2-(2-naphthyl)pyrimidin-4-yl]methyl]ethanamine N-[[6-methyl-2-(2-naphthyl)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) 3.92 9.37 -44.46 2 3 1 42 278.379 4 ↓
Mid Mid (pH 6-8) 3.92 8 -7.31 1 3 0 38 277.371 4 ↓

Analogs

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Popular Name: 6-methyl-2-(2-naphthyl)pyrimidine-4-carboxylic 6-methyl-2-(2-naphthyl)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) 3.56 9.24 -53.31 0 4 -1 66 263.276 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-6-methyl-2-(2-naphthyl)pyrimidine 4-(chloromethyl)-6-methyl-2-(2-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) 4.57 9.86 -8.7 0 2 0 26 268.747 2 ↓

Analogs

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Popular Name: 2-[2-(2-naphthyl)pyrimidin-4-yl]ethanamine 2-[2-(2-naphthyl)pyrimidin-4-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) 2.53 6.86 -51.3 3 3 1 53 250.325 3 ↓

Analogs

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Popular Name: 2-[6-methyl-2-(2-naphthyl)pyrimidin-4-yl]ethanamine 2-[6-methyl-2-(2-naphthyl)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) 2.97 7.45 -51.47 3 3 1 53 264.352 3 ↓

Analogs

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Popular Name: (2S)-1-[2-(2-naphthyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[2-(2-naphthyl)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 8.23 -42.11 3 3 1 53 264.352 3 ↓

Analogs

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Popular Name: (2R)-1-[2-(2-naphthyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[2-(2-naphthyl)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 7.5 -45 3 3 1 53 264.352 3 ↓

Analogs

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Popular Name: (2S)-1-[2-(2-naphthyl)pyrimidin-4-yl]butan-2-amine (2S)-1-[2-(2-naphthyl)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) 3.47 9.04 -41.9 3 3 1 53 278.379 4 ↓

Analogs

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Popular Name: (2R)-1-[2-(2-naphthyl)pyrimidin-4-yl]butan-2-amine (2R)-1-[2-(2-naphthyl)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) 3.47 8.31 -45.01 3 3 1 53 278.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[6-methyl-2-(2-naphthyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[6-methyl-2-(2-naphthyl)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 8.1 -44.82 3 3 1 53 278.379 3 ↓

Analogs

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Popular Name: (2S)-1-[6-methyl-2-(2-naphthyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[6-methyl-2-(2-naphthyl)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 8.83 -42.09 3 3 1 53 278.379 3 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(2-naphthyl)pyrimidine-5-carboxylic 4,6-dimethyl-2-(2-naphthyl)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) 3.47 9.88 -47.21 0 4 -1 66 277.303 2 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-(2-naphthyl)pyrimidin-5-yl]ethanamine 2-[4,6-dimethyl-2-(2-naphthyl)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 7.84 -57.28 3 3 1 53 278.379 3 ↓

Analogs

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Popular Name: [4,6-dimethyl-2-(2-naphthyl)pyrimidin-5-yl]methanamine [4,6-dimethyl-2-(2-naphthyl)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) 3.08 7.04 -54.95 3 3 1 53 264.352 2 ↓
Mid Mid (pH 6-8) 3.08 6.64 -8.74 2 3 0 52 263.344 2 ↓

Analogs

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Popular Name: 1-[4,6-dimethyl-2-(2-naphthyl)pyrimidin-5-yl]-N-methyl-methanamine 1-[4,6-dimethyl-2-(2-naphthyl)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) 3.46 8.92 -48.89 2 3 1 42 278.379 3 ↓
Mid Mid (pH 6-8) 3.46 7.46 -8.15 1 3 0 38 277.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-naphthyl)pyrimidin-5-yl]methanamine [2-(2-naphthyl)pyrimidin-5-yl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.08 -54.26 3 3 1 53 236.298 2 ↓
Mid Mid (pH 6-8) 2.31 5.69 -7.77 2 3 0 52 235.29 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(2-naphthyl)pyrimidin-5-yl]methanamine N-methyl-1-[2-(2-naphthyl)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) 2.68 7.96 -48.51 2 3 1 42 250.325 3 ↓
Mid Mid (pH 6-8) 2.68 6.51 -7.24 1 3 0 38 249.317 3 ↓

Analogs

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Popular Name: N-[[2-(2-naphthyl)pyrimidin-5-yl]methyl]ethanamine N-[[2-(2-naphthyl)pyrimidin-5-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) 3.06 8.82 -47.83 2 3 1 42 264.352 4 ↓
Mid Mid (pH 6-8) 3.06 7.45 -7.06 1 3 0 38 263.344 4 ↓

Analogs

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Popular Name: N-[[2-(2-naphthyl)pyrimidin-5-yl]methyl]propan-1-amine N-[[2-(2-naphthyl)pyrimidin-5-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) 3.56 9.57 -48.76 2 3 1 42 278.379 5 ↓
Mid Mid (pH 6-8) 3.56 8.21 -6.97 1 3 0 38 277.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-naphthyl)pyrimidin-5-yl]methyl]propan-2-amine N-[[2-(2-naphthyl)pyrimidin-5-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) 3.36 9.35 -46.08 2 3 1 42 278.379 4 ↓
Hi High (pH 8-9.5) 3.36 8.12 -6.92 1 3 0 38 277.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-naphthyl)pyrimidin-5-yl]methanol [2-(2-naphthyl)pyrimidin-5-yl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 5.37 -9.77 1 3 0 46 236.274 2 ↓

Analogs

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Popular Name: 5-(chloromethyl)-2-(2-naphthyl)pyrimidine 5-(chloromethyl)-2-(2-naphthyl)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) 3.70 9.34 -8.29 0 2 0 26 254.72 2 ↓

Analogs

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Popular Name: 2-[2-(2-naphthyl)pyrimidin-5-yl]ethanamine 2-[2-(2-naphthyl)pyrimidin-5-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) 2.11 6.87 -54.52 3 3 1 53 250.325 3 ↓

Analogs

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Popular Name: (2S)-1-[2-(2-naphthyl)pyrimidin-5-yl]propan-2-amine (2S)-1-[2-(2-naphthyl)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) 2.51 7.51 -48.74 3 3 1 53 264.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2-naphthyl)pyrimidin-5-yl]propan-2-amine (2R)-1-[2-(2-naphthyl)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) 2.51 7.51 -48.71 3 3 1 53 264.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(2-naphthyl)pyrimidin-5-yl]butan-2-amine (2S)-1-[2-(2-naphthyl)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) 3.05 8.33 -48.77 3 3 1 53 278.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2-naphthyl)pyrimidin-5-yl]butan-2-amine (2R)-1-[2-(2-naphthyl)pyrimidin-…

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Activity (Go SEA)

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) 3.05 8.33 -48.77 3 3 1 53 278.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-methyl-2-(2-naphthyl)pyrimidin-5-yl]ethanone 1-[4-methyl-2-(2-naphthyl)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) 3.41 9.22 -9.63 0 3 0 43 262.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-methyl-2-(2-naphthyl)pyrimidin-5-yl]ethanamine (1R)-1-[4-methyl-2-(2-naphthyl)p…

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Activity (Go SEA)

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) 1.38 7.3 -53.65 3 3 1 53 264.352 2 ↓
Mid Mid (pH 6-8) 1.38 6.97 -7.72 2 3 0 52 263.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-methyl-2-(2-naphthyl)pyrimidin-5-yl]ethanamine (1S)-1-[4-methyl-2-(2-naphthyl)p…

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Activity (Go SEA)

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) 1.38 7.22 -53.69 3 3 1 53 264.352 2 ↓
Mid Mid (pH 6-8) 1.38 6.91 -8.27 2 3 0 52 263.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-[4-methyl-2-(2-naphthyl)pyrimidin-5-yl]ethanamine (1R)-N-methyl-1-[4-methyl-2-(2-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) 3.63 9.13 -47.73 2 3 1 42 278.379 3 ↓
Mid Mid (pH 6-8) 3.63 8.03 -7.86 1 3 0 38 277.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[4-methyl-2-(2-naphthyl)pyrimidin-5-yl]ethanamine (1S)-N-methyl-1-[4-methyl-2-(2-n…

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Activity (Go SEA)

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) 3.63 9.06 -47.75 2 3 1 42 278.379 3 ↓
Mid Mid (pH 6-8) 3.63 7.81 -7.08 1 3 0 38 277.371 3 ↓

Parameters Provided:

ring.id = 17060
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 = 17060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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