UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [5,6-dimethyl-2-(1-naphthyl)pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-(1-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) 3.47 7.68 -11.08 3 4 0 64 264.332 2 ↓

Analogs

20550156
20550156

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Popular Name: 4-chloro-6-isopropyl-2-(1-naphthyl)pyrimidine 4-chloro-6-isopropyl-2-(1-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) 5.59 10.05 -7.62 0 2 0 26 282.774 2 ↓

Analogs

20550156
20550156

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Popular Name: 4-tert-butyl-6-chloro-2-(1-naphthyl)pyrimidine 4-tert-butyl-6-chloro-2-(1-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) 6.25 10.81 -7.36 0 2 0 26 296.801 2 ↓

Analogs

13123223
13123223

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Popular Name: 4-chloro-6-ethyl-2-(2-methoxy-1-naphthyl)pyrimidine 4-chloro-6-ethyl-2-(2-methoxy-1-…

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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) 5.11 9.07 -10.93 0 3 0 35 298.773 3 ↓

Analogs

20550156
20550156
300158
300158

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Popular Name: 4-chloro-6-ethyl-2-(1-naphthyl)pyrimidine 4-chloro-6-ethyl-2-(1-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) 5.10 9.63 -7.89 0 2 0 26 268.747 2 ↓

Analogs

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Popular Name: 4-methyl-2-(1-naphthyl)pyrimidine-5-carboxylic 4-methyl-2-(1-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) 3.06 8.92 -46.18 0 4 -1 66 263.276 2 ↓

Analogs

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Popular Name: 4-ethyl-2-(1-naphthyl)pyrimidine-5-carboxylic 4-ethyl-2-(1-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) 3.63 9.53 -46.21 0 4 -1 66 277.303 3 ↓

Analogs

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Popular Name: [2-(1-naphthyl)pyrimidin-4-yl]methanamine [2-(1-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) 2.71 5.79 -51.61 3 3 1 53 236.298 2 ↓
Mid Mid (pH 6-8) 2.71 5.38 -10.32 2 3 0 52 235.29 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(1-naphthyl)pyrimidin-4-yl]methanamine N-methyl-1-[2-(1-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) 3.08 7.65 -46.62 2 3 1 42 250.325 3 ↓
Mid Mid (pH 6-8) 3.08 6.2 -8.48 1 3 0 38 249.317 3 ↓

Analogs

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Popular Name: N-[[2-(1-naphthyl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(1-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) 3.46 8.5 -45.65 2 3 1 42 264.352 4 ↓
Mid Mid (pH 6-8) 3.46 7.14 -8.27 1 3 0 38 263.344 4 ↓

Analogs

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Popular Name: N-[[2-(1-naphthyl)pyrimidin-4-yl]methyl]propan-1-amine N-[[2-(1-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) 3.96 9.26 -46.52 2 3 1 42 278.379 5 ↓
Mid Mid (pH 6-8) 3.96 7.9 -8.11 1 3 0 38 277.371 5 ↓

Analogs

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Popular Name: N-[[2-(1-naphthyl)pyrimidin-4-yl]methyl]propan-2-amine N-[[2-(1-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) 3.76 9.04 -43.45 2 3 1 42 278.379 4 ↓
Hi High (pH 8-9.5) 3.76 7.83 -8.09 1 3 0 38 277.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1-naphthyl)pyrimidin-4-yl]methanol [2-(1-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) 2.86 5.24 -9.83 1 3 0 46 236.274 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(1-naphthyl)pyrimidine 4-(chloromethyl)-2-(1-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) 4.10 9.01 -9.66 0 2 0 26 254.72 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-(1-naphthyl)pyrimidin-4-yl]methanol [6-methyl-2-(1-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) 3.30 5.84 -10.15 1 3 0 46 250.301 2 ↓

Analogs

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Popular Name: 6-methyl-2-(1-naphthyl)pyrimidine-4-carbaldehyde 6-methyl-2-(1-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) 3.76 8.12 -16.67 0 3 0 43 248.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-(1-naphthyl)pyrimidin-4-yl]methanamine [6-methyl-2-(1-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) 3.15 6.38 -51.54 3 3 1 53 250.325 2 ↓
Mid Mid (pH 6-8) 3.15 5.97 -10.54 2 3 0 52 249.317 2 ↓

Analogs

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Popular Name: N-methyl-1-[6-methyl-2-(1-naphthyl)pyrimidin-4-yl]methanamine N-methyl-1-[6-methyl-2-(1-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) 3.52 8.25 -45.88 2 3 1 42 264.352 3 ↓
Mid Mid (pH 6-8) 3.52 6.81 -9.93 1 3 0 38 263.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-(1-naphthyl)pyrimidin-4-yl]methyl]ethanamine N-[[6-methyl-2-(1-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) 3.90 9.11 -45.57 2 3 1 42 278.379 4 ↓
Mid Mid (pH 6-8) 3.90 7.74 -8.46 1 3 0 38 277.371 4 ↓

Analogs

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Popular Name: 6-methyl-2-(1-naphthyl)pyrimidine-4-carboxylic 6-methyl-2-(1-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) 3.54 8.97 -54.42 0 4 -1 66 263.276 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-6-methyl-2-(1-naphthyl)pyrimidine 4-(chloromethyl)-6-methyl-2-(1-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) 4.54 9.6 -9.77 0 2 0 26 268.747 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1-naphthyl)pyrimidin-4-yl]ethanamine 2-[2-(1-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) 2.51 6.6 -51.57 3 3 1 53 250.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-methyl-2-(1-naphthyl)pyrimidin-4-yl]ethanamine 2-[6-methyl-2-(1-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) 2.95 7.19 -51.71 3 3 1 53 264.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(1-naphthyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[2-(1-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) 2.91 7.96 -39.09 3 3 1 53 264.352 3 ↓

Analogs

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Popular Name: (2R)-1-[2-(1-naphthyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[2-(1-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) 2.91 7.24 -46.43 3 3 1 53 264.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(1-naphthyl)pyrimidin-4-yl]butan-2-amine (2S)-1-[2-(1-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) 3.45 8.77 -38.95 3 3 1 53 278.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(1-naphthyl)pyrimidin-4-yl]butan-2-amine (2R)-1-[2-(1-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) 3.45 8.05 -46.49 3 3 1 53 278.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[6-methyl-2-(1-naphthyl)pyrimidin-4-yl]propan-2-amine (2R)-1-[6-methyl-2-(1-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) 3.35 7.83 -46.28 3 3 1 53 278.379 3 ↓

Analogs

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Popular Name: (2S)-1-[6-methyl-2-(1-naphthyl)pyrimidin-4-yl]propan-2-amine (2S)-1-[6-methyl-2-(1-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) 3.35 8.55 -41.68 3 3 1 53 278.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-(1-naphthyl)pyrimidine-5-carboxylic 4,6-dimethyl-2-(1-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) 3.45 9.61 -49.52 0 4 -1 66 277.303 2 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-(1-naphthyl)pyrimidin-5-yl]ethanamine 2-[4,6-dimethyl-2-(1-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) 2.86 7.57 -58.17 3 3 1 53 278.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4,6-dimethyl-2-(1-naphthyl)pyrimidin-5-yl]methanamine [4,6-dimethyl-2-(1-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) 3.06 6.78 -55.76 3 3 1 53 264.352 2 ↓
Mid Mid (pH 6-8) 3.06 6.38 -10.01 2 3 0 52 263.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4,6-dimethyl-2-(1-naphthyl)pyrimidin-5-yl]-N-methyl-methanamine 1-[4,6-dimethyl-2-(1-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) 3.44 8.65 -49.77 2 3 1 42 278.379 3 ↓
Mid Mid (pH 6-8) 3.44 7.2 -9.22 1 3 0 38 277.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1-naphthyl)pyrimidin-5-yl]methanamine [2-(1-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) 2.29 5.82 -54.97 3 3 1 53 236.298 2 ↓
Mid Mid (pH 6-8) 2.29 5.43 -8.86 2 3 0 52 235.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-(1-naphthyl)pyrimidin-5-yl]methanamine N-methyl-1-[2-(1-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) 2.66 7.69 -49.18 2 3 1 42 250.325 3 ↓
Mid Mid (pH 6-8) 2.66 6.25 -8.42 1 3 0 38 249.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]ethanamine N-[[2-(1-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) 3.04 8.55 -48.53 2 3 1 42 264.352 4 ↓
Mid Mid (pH 6-8) 3.04 7.18 -8.24 1 3 0 38 263.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]propan-1-amine N-[[2-(1-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) 3.54 9.3 -49.49 2 3 1 42 278.379 5 ↓
Mid Mid (pH 6-8) 3.54 7.95 -8.09 1 3 0 38 277.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]propan-2-amine N-[[2-(1-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) 3.33 9.08 -46.83 2 3 1 42 278.379 4 ↓
Hi High (pH 8-9.5) 3.33 7.88 -8.07 1 3 0 38 277.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1-naphthyl)pyrimidin-5-yl]methanol [2-(1-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) 2.44 5.11 -10.93 1 3 0 46 236.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-2-(1-naphthyl)pyrimidine 5-(chloromethyl)-2-(1-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) 3.68 9.08 -9.36 0 2 0 26 254.72 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1-naphthyl)pyrimidin-5-yl]ethanamine 2-[2-(1-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) 2.09 6.6 -55.24 3 3 1 53 250.325 3 ↓

Analogs

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Popular Name: (2S)-1-[2-(1-naphthyl)pyrimidin-5-yl]propan-2-amine (2S)-1-[2-(1-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) 2.49 7.25 -49.58 3 3 1 53 264.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(1-naphthyl)pyrimidin-5-yl]propan-2-amine (2R)-1-[2-(1-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) 2.49 7.25 -49.21 3 3 1 53 264.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(1-naphthyl)pyrimidin-5-yl]butan-2-amine (2S)-1-[2-(1-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) 3.02 8.06 -49.66 3 3 1 53 278.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(1-naphthyl)pyrimidin-5-yl]butan-2-amine (2R)-1-[2-(1-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) 3.02 8.06 -49.25 3 3 1 53 278.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-methyl-2-(1-naphthyl)pyrimidin-5-yl]ethanone 1-[4-methyl-2-(1-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) 3.39 8.87 -10.36 0 3 0 43 262.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-methyl-2-(1-naphthyl)pyrimidin-5-yl]ethanamine (1R)-1-[4-methyl-2-(1-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) 1.36 7.03 -54.21 3 3 1 53 264.352 2 ↓
Mid Mid (pH 6-8) 1.36 6.7 -9.58 2 3 0 52 263.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-methyl-2-(1-naphthyl)pyrimidin-5-yl]ethanamine (1S)-1-[4-methyl-2-(1-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) 1.36 6.95 -54.26 3 3 1 53 264.352 2 ↓
Mid Mid (pH 6-8) 1.36 6.64 -8.93 2 3 0 52 263.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-[4-methyl-2-(1-naphthyl)pyrimidin-5-yl]ethanamine (1R)-N-methyl-1-[4-methyl-2-(1-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) 3.61 8.86 -48.19 2 3 1 42 278.379 3 ↓
Mid Mid (pH 6-8) 3.61 7.76 -9.1 1 3 0 38 277.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[4-methyl-2-(1-naphthyl)pyrimidin-5-yl]ethanamine (1S)-N-methyl-1-[4-methyl-2-(1-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) 3.61 8.79 -48.36 2 3 1 42 278.379 3 ↓
Mid Mid (pH 6-8) 3.61 7.53 -8.3 1 3 0 38 277.371 3 ↓

Parameters Provided:

ring.id = 17074
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 = 17074 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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