UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-[(5-nitropyrimidin-2-yl)amino]-2-phenyl-propanoic (2R)-2-[(5-nitropyrimidin-2-yl)a…

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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) 1.99 8.75 -45.3 1 8 -1 124 287.255 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-nitropyrimidin-2-yl)amino]-2-phenyl-propanoic (2S)-2-[(5-nitropyrimidin-2-yl)a…

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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) 1.99 8.75 -45.35 1 8 -1 124 287.255 5 ↓

Analogs

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Popular Name: (2R)-2-[(4-methoxypyrimidin-2-yl)amino]-2-phenyl-propanoic (2R)-2-[(4-methoxypyrimidin-2-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) 2.07 6.52 -50.93 1 6 -1 87 272.284 5 ↓
Lo Low (pH 4.5-6) 2.07 5.63 -27.03 2 6 0 88 273.292 5 ↓

Analogs

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Popular Name: (2S)-2-[(4-methoxypyrimidin-2-yl)amino]-2-phenyl-propanoic (2S)-2-[(4-methoxypyrimidin-2-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) 2.07 6.52 -51.07 1 6 -1 87 272.284 5 ↓
Lo Low (pH 4.5-6) 2.07 5.69 -27.39 2 6 0 88 273.292 5 ↓

Analogs

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Popular Name: (2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenyl-propanoic (2S)-2-[(4,6-dimethylpyrimidin-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) 2.55 9.26 -55.27 1 5 -1 78 270.312 4 ↓
Lo Low (pH 4.5-6) 2.55 8.52 -28.76 2 5 0 79 271.32 4 ↓

Analogs

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Popular Name: (2R)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenyl-propanoic (2R)-2-[(4,6-dimethylpyrimidin-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) 2.55 9.25 -55.49 1 5 -1 78 270.312 4 ↓
Lo Low (pH 4.5-6) 2.55 8.53 -29.21 2 5 0 79 271.32 4 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(pyrimidin-2-ylamino)propanoic (2R)-2-phenyl-2-(pyrimidin-2-yla…

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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) 1.67 8.07 -53.25 1 5 -1 78 242.258 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(pyrimidin-2-ylamino)propanoic (2S)-2-phenyl-2-(pyrimidin-2-yla…

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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) 1.67 8.08 -53.32 1 5 -1 78 242.258 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-4,6-dimethyl-pyrimidin-2-amine N-[[4-(2-aminoethyl)phenyl]methy…

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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) 1.65 6.89 -49.78 4 4 1 65 257.361 5 ↓
Lo Low (pH 4.5-6) 1.65 7.24 -79.7 5 4 2 67 258.369 5 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]pyrimidin-2-amine N-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.78 5.67 -49.41 4 4 1 65 229.307 5 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-4-methoxy-pyrimidin-2-amine N-[[4-(2-aminoethyl)phenyl]methy…

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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) 1.17 4.12 -49.4 4 5 1 75 259.333 6 ↓
Lo Low (pH 4.5-6) 1.17 4.52 -84.4 5 5 2 76 260.341 6 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-5-nitro-pyrimidin-2-amine N-[[4-(2-aminoethyl)phenyl]methy…

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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) 1.10 6.35 -49.86 4 7 1 111 274.304 6 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]pyrimidin-2-amine N-[(3-aminophenyl)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) 0.84 4.72 -6.73 3 4 0 64 200.245 3 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]-4,6-dimethyl-pyrimidin-2-amine N-[(3-aminophenyl)methyl]-4,6-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) 1.72 5.93 -7.14 3 4 0 64 228.299 3 ↓
Lo Low (pH 4.5-6) 1.72 6.28 -28.47 4 4 1 65 229.307 3 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]-4-methoxy-pyrimidin-2-amine N-[(3-aminophenyl)methyl]-4-meth…

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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) 1.24 3.17 -6.33 3 5 0 73 230.271 4 ↓
Lo Low (pH 4.5-6) 1.24 3.56 -33.13 4 5 1 74 231.279 4 ↓

Analogs

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Popular Name: 5-nitro-N-[(3-nitrophenyl)methyl]pyrimidin-2-amine 5-nitro-N-[(3-nitrophenyl)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) 2.05 8.24 -11.27 1 9 0 129 275.224 5 ↓

Analogs

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Popular Name: N-methyl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide N-methyl-1-[4-[(pyrimidin-2-ylam…

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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) 0.92 3.72 -15.6 2 6 0 84 292.364 6 ↓

Analogs

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Popular Name: N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine N-[(2-nitrophenyl)methyl]-4-(tri…

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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 8.58 -12.45 1 6 0 84 298.224 5 ↓

Analogs

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Popular Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-N-(2-methoxyethyl)benzenesulfonamide 4-[[(4,6-dimethylpyrimidin-2-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) 1.72 4.19 -12.98 2 7 0 93 350.444 8 ↓
Lo Low (pH 4.5-6) 1.72 4.53 -39.29 3 7 1 94 351.452 8 ↓

Analogs

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Popular Name: 4-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyrimidin-2-amine 4-(trifluoromethyl)-N-[(2,3,4-tr…

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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 7.03 -10.72 1 6 0 66 343.305 7 ↓

Analogs

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Popular Name: 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrimidin-2-amine 4-methoxy-N-methyl-N-[(2,3,4-tri…

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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) 2.38 6.7 -10.86 0 7 0 66 319.361 7 ↓

Analogs

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Popular Name: N-[(4-nitrophenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine N-[(4-nitrophenyl)methyl]-4-(tri…

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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 8.58 -10.57 1 6 0 84 298.224 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-aminopyrimidin-2-yl)amino]-2-phenyl-ethanol (2S)-2-[(5-aminopyrimidin-2-yl)a…

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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) 1.19 2.41 -7.87 4 5 0 84 230.271 4 ↓

Analogs

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Popular Name: (2R)-2-[(5-aminopyrimidin-2-yl)amino]-2-phenyl-ethanol (2R)-2-[(5-aminopyrimidin-2-yl)a…

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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) 1.19 2.42 -7.88 4 5 0 84 230.271 4 ↓

Analogs

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Popular Name: (2R)-2-[(4-methylpyrimidin-2-yl)amino]-2-phenyl-ethanol (2R)-2-[(4-methylpyrimidin-2-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) 1.78 5.14 -7.72 2 4 0 58 229.283 4 ↓

Analogs

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Popular Name: (2S)-2-[(4-methylpyrimidin-2-yl)amino]-2-phenyl-ethanol (2S)-2-[(4-methylpyrimidin-2-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) 1.78 5.15 -7.73 2 4 0 58 229.283 4 ↓

Analogs

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Popular Name: (2R)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenyl-ethanol (2R)-2-[(4,6-dimethylpyrimidin-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) 2.22 5.74 -7.87 2 4 0 58 243.31 4 ↓
Lo Low (pH 4.5-6) 2.22 6.06 -30.19 3 4 1 59 244.318 4 ↓

Analogs

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Popular Name: (2S)-2-[(5-nitropyrimidin-2-yl)amino]-2-phenyl-ethanol (2S)-2-[(5-nitropyrimidin-2-yl)a…

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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) 1.67 5.22 -6.49 2 7 0 104 260.253 5 ↓

Analogs

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Popular Name: (2R)-2-[(5-nitropyrimidin-2-yl)amino]-2-phenyl-ethanol (2R)-2-[(5-nitropyrimidin-2-yl)a…

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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) 1.67 5.22 -6.5 2 7 0 104 260.253 5 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(pyrimidin-2-ylamino)ethanol (2S)-2-phenyl-2-(pyrimidin-2-yla…

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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) 1.34 4.54 -7.52 2 4 0 58 215.256 4 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(pyrimidin-2-ylamino)ethanol (2R)-2-phenyl-2-(pyrimidin-2-yla…

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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) 1.34 4.54 -7.53 2 4 0 58 215.256 4 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine N-[(3-bromophenyl)methyl]-4-(tri…

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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) 3.93 8.48 -6.43 1 3 0 38 332.123 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-N-(o-tolylmethyl)pyrimidin-2-amine 4,6-dimethyl-N-(o-tolylmethyl)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) 3.07 8.79 -6.32 1 3 0 38 227.311 3 ↓
Lo Low (pH 4.5-6) 3.07 9.12 -28.38 2 3 1 39 228.319 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methoxyphenyl)propyl]pyrimidin-2-amine N-[(1S)-1-(4-methoxyphenyl)propy…

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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 7.42 -6.87 1 4 0 47 243.31 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-methoxyphenyl)propyl]pyrimidin-2-amine N-[(1R)-1-(4-methoxyphenyl)propy…

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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 7.44 -6.86 1 4 0 47 243.31 5 ↓

Analogs

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Popular Name: N2-[(1R)-2-(dimethylamino)-1-phenyl-ethyl]-N4,N4,5-trimethyl-pyrimidine-2,4-diamine N2-[(1R)-2-(dimethylamino)-1-phe…

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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 11.81 -97.79 3 5 2 47 301.438 6 ↓
Hi High (pH 8-9.5) 2.88 11.49 -34.64 2 5 1 45 300.43 6 ↓
Hi High (pH 8-9.5) 2.88 9.82 -6.07 1 5 0 44 299.422 6 ↓

Analogs

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Popular Name: N2-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]-N4,N4,5-trimethyl-pyrimidine-2,4-diamine N2-[(1S)-2-(dimethylamino)-1-phe…

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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 12.15 -95.1 3 5 2 47 301.438 6 ↓
Hi High (pH 8-9.5) 2.88 11.51 -32.8 2 5 1 45 300.43 6 ↓
Hi High (pH 8-9.5) 2.88 9.17 -6.19 1 5 0 44 299.422 6 ↓

Analogs

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Popular Name: methyl G-690/11310083 methyl G-690/11310083

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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) 2.42 11.7 -92.02 3 5 2 47 301.438 6 ↓
Hi High (pH 8-9.5) 2.42 9.19 -6.1 1 5 0 44 299.422 6 ↓
Hi High (pH 8-9.5) 2.42 11.79 -32.53 2 5 1 45 300.43 6 ↓

Analogs

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Popular Name: (2R)-2-(3,4-difluorophenyl)-2-[(4-methoxypyrimidin-2-yl)amino]-N-methyl-acetamide (2R)-2-(3,4-difluorophenyl)-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) 1.74 3.91 -12.82 2 6 0 76 308.288 5 ↓
Lo Low (pH 4.5-6) 1.74 4.25 -41.01 3 6 1 77 309.296 5 ↓

Analogs

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Popular Name: (2S)-2-(3,4-difluorophenyl)-2-[(4-methoxypyrimidin-2-yl)amino]-N-methyl-acetamide (2S)-2-(3,4-difluorophenyl)-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) 1.74 3.91 -12.83 2 6 0 76 308.288 5 ↓
Lo Low (pH 4.5-6) 1.74 4.25 -40.92 3 6 1 77 309.296 5 ↓

Analogs

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Popular Name: 4-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-fluoro-benzonitrile 4-[[(5-bromopyrimidin-2-yl)amino…

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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) 2.81 7.85 -7.88 1 4 0 62 307.126 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(2-chlorophenyl)methyl]pyrimidin-2-amine 5-bromo-N-[(2-chlorophenyl)methy…

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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) 3.60 7.85 -4.65 1 3 0 38 298.571 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine 5-bromo-N-[(4-fluorophenyl)methy…

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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) 3.13 7.5 -4.49 1 3 0 38 282.116 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine 5-bromo-N-[(1S)-1-(4-fluoropheny…

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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) 3.69 8.37 -4.66 1 3 0 38 296.143 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine 5-bromo-N-[(1R)-1-(4-fluoropheny…

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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) 3.69 8.37 -4.69 1 3 0 38 296.143 3 ↓

Analogs

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Popular Name: 3-[[(5-bromopyrimidin-2-yl)-methyl-amino]methyl]benzonitrile 3-[[(5-bromopyrimidin-2-yl)-meth…

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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 10.14 -8.98 0 4 0 53 303.163 3 ↓

Analogs

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Popular Name: 5-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-2-amine 5-bromo-N-[[2-(ethoxymethyl)phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 8.25 -4.45 1 4 0 47 322.206 6 ↓

Analogs

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Popular Name: 5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine 5-bromo-N-[[3-(trifluoromethyl)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) 3.84 8.43 -5.07 1 3 0 38 332.123 4 ↓

Analogs

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Popular Name: 5-bromo-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine 5-bromo-N-[(2-fluorophenyl)methy…

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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 7.47 -5.46 1 3 0 38 282.116 3 ↓

Analogs

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Popular Name: 5-bromo-N-(p-tolylmethyl)pyrimidin-2-amine 5-bromo-N-(p-tolylmethyl)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) 3.41 8.11 -3.89 1 3 0 38 278.153 3 ↓

Parameters Provided:

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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 = 30307 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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