UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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2038619
2038619

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Popular Name: IN-836 IN-836

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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) 1.21 -3.61 -7.62 2 4 0 58 215.256 4 ↓

Analogs

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Popular Name: 4-[(1S)-1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol 4-[(1S)-1-hydroxy-2-[[4-(3,3,3-t…

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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) 2.56 4.17 -9.53 3 5 0 78 327.306 7 ↓

Analogs

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Popular Name: 4-[(1R)-1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol 4-[(1R)-1-hydroxy-2-[[4-(3,3,3-t…

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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) 2.56 4.26 -9.49 3 5 0 78 327.306 7 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]pyrimidin-2-amine N-[(1S)-2-(4-fluorophenyl)-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) 2.69 8.67 -7.93 1 3 0 38 231.274 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]pyrimidin-2-amine N-[(1R)-2-(4-fluorophenyl)-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) 2.69 8.65 -7.9 1 3 0 38 231.274 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-4,6-dimethyl-pyrimidin-2-amine N-[(1S)-2-(4-fluorophenyl)-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) 3.57 9.88 -8.3 1 3 0 38 259.328 4 ↓
Lo Low (pH 4.5-6) 3.57 10.2 -30.38 2 3 1 39 260.336 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-4,6-dimethyl-pyrimidin-2-amine N-[(1R)-2-(4-fluorophenyl)-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) 3.57 9.86 -8.33 1 3 0 38 259.328 4 ↓
Lo Low (pH 4.5-6) 3.57 10.19 -30.41 2 3 1 39 260.336 4 ↓

Analogs

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Popular Name: N-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrimidin-2-amine N-[2-(2,3,4-trimethoxyphenyl)eth…

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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) 2.03 6.82 -11.79 1 6 0 66 289.335 7 ↓

Analogs

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Popular Name: (1S)-N'-(5-nitropyrimidin-2-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(5-nitropyrimidin-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) -0.17 5.9 -53.95 4 7 1 111 260.277 5 ↓
Hi High (pH 8-9.5) -0.17 5.46 -5.6 3 7 0 110 259.269 5 ↓

Analogs

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Popular Name: (1R)-N'-(5-nitropyrimidin-2-yl)-1-phenyl-ethane-1,2-diamine (1R)-N'-(5-nitropyrimidin-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) -0.17 5.9 -53.95 4 7 1 111 260.277 5 ↓
Hi High (pH 8-9.5) -0.17 5.54 -6.29 3 7 0 110 259.269 5 ↓

Analogs

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Popular Name: (1R)-N'-(4-methylpyrimidin-2-yl)-1-phenyl-ethane-1,2-diamine (1R)-N'-(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) -0.05 5.83 -45.77 4 4 1 65 229.307 4 ↓
Hi High (pH 8-9.5) -0.05 5.48 -6.83 3 4 0 64 228.299 4 ↓

Analogs

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Popular Name: (1S)-N'-(4-methylpyrimidin-2-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(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) -0.05 5.83 -45.68 4 4 1 65 229.307 4 ↓
Hi High (pH 8-9.5) -0.05 5.39 -6.63 3 4 0 64 228.299 4 ↓

Analogs

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Popular Name: (1S)-1-phenyl-N'-pyrimidin-2-yl-ethane-1,2-diamine (1S)-1-phenyl-N'-pyrimidin-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) -0.49 5.22 -45.81 4 4 1 65 215.28 4 ↓

Analogs

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Popular Name: (1R)-1-phenyl-N'-pyrimidin-2-yl-ethane-1,2-diamine (1R)-1-phenyl-N'-pyrimidin-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) -0.49 5.22 -45.87 4 4 1 65 215.28 4 ↓

Analogs

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Popular Name: (1R)-1-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (1R)-1-(4-fluorophenyl)-2-[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 7.89 -9.71 1 4 0 49 315.27 5 ↓

Analogs

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Popular Name: (1S)-1-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (1S)-1-(4-fluorophenyl)-2-[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 7.95 -9.24 1 4 0 49 315.27 5 ↓

Analogs

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Popular Name: (2S,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol (2S,3S)-3-phenyl-2-[[4-(trifluor…

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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 6.7 -7.97 2 4 0 58 311.307 6 ↓

Analogs

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Popular Name: (2S,3R)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol (2S,3R)-3-phenyl-2-[[4-(trifluor…

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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 6.72 -6.88 2 4 0 58 311.307 6 ↓

Analogs

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Popular Name: (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol (2R,3S)-3-phenyl-2-[[4-(trifluor…

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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 6.72 -6.91 2 4 0 58 311.307 6 ↓

Analogs

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Popular Name: (2R,3R)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol (2R,3R)-3-phenyl-2-[[4-(trifluor…

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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 6.69 -7.94 2 4 0 58 311.307 6 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethoxyphenyl)-2-(pyrimidin-2-ylamino)ethanol (1S)-1-(2,5-dimethoxyphenyl)-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) 1.25 3.16 -9.85 2 6 0 77 275.308 6 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethoxyphenyl)-2-(pyrimidin-2-ylamino)ethanol (1R)-1-(2,5-dimethoxyphenyl)-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) 1.25 3.22 -9.8 2 6 0 77 275.308 6 ↓

Analogs

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Popular Name: (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol (2S)-3-phenyl-2-[[4-(trifluorome…

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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) 2.90 6.35 -8.18 2 4 0 58 297.28 6 ↓

Analogs

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Popular Name: (2R)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol (2R)-3-phenyl-2-[[4-(trifluorome…

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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) 2.90 6.35 -8.19 2 4 0 58 297.28 6 ↓

Analogs

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Popular Name: (1S)-2-(pyrimidin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (1S)-2-(pyrimidin-2-ylamino)-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) 2.08 5.45 -8.87 2 4 0 58 283.253 5 ↓

Analogs

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Popular Name: (1R)-2-(pyrimidin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (1R)-2-(pyrimidin-2-ylamino)-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) 2.08 5.54 -8.74 2 4 0 58 283.253 5 ↓

Analogs

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Popular Name: (2S,3S)-2-[(4-methoxypyrimidin-2-yl)amino]-3-phenyl-butan-1-ol (2S,3S)-2-[(4-methoxypyrimidin-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) 2.75 4.12 -7.24 2 5 0 67 273.336 6 ↓
Lo Low (pH 4.5-6) 2.75 4.49 -33.93 3 5 1 69 274.344 6 ↓

Analogs

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Popular Name: (2S,3R)-2-[(4-methoxypyrimidin-2-yl)amino]-3-phenyl-butan-1-ol (2S,3R)-2-[(4-methoxypyrimidin-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) 2.75 4.16 -6.4 2 5 0 67 273.336 6 ↓
Lo Low (pH 4.5-6) 2.75 4.53 -33.36 3 5 1 69 274.344 6 ↓

Analogs

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Popular Name: (2R,3S)-2-[(4-methoxypyrimidin-2-yl)amino]-3-phenyl-butan-1-ol (2R,3S)-2-[(4-methoxypyrimidin-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) 2.75 4.16 -6.42 2 5 0 67 273.336 6 ↓
Lo Low (pH 4.5-6) 2.75 4.53 -33.34 3 5 1 69 274.344 6 ↓

Analogs

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Popular Name: (2R,3R)-2-[(4-methoxypyrimidin-2-yl)amino]-3-phenyl-butan-1-ol (2R,3R)-2-[(4-methoxypyrimidin-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) 2.75 4.13 -7.32 2 5 0 67 273.336 6 ↓
Lo Low (pH 4.5-6) 2.75 4.5 -33.78 3 5 1 69 274.344 6 ↓

Analogs

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Popular Name: 5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine 5-bromo-N-[2-(3,4-dimethoxypheny…

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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 7.42 -9 1 5 0 56 338.205 6 ↓

Analogs

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Popular Name: 4-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]benzenesulfonamide 4-[2-[(5-bromopyrimidin-2-yl)ami…

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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) 2.06 3.19 -12.92 3 6 0 98 357.233 5 ↓

Analogs

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Popular Name: (1R)-N'-(5-bromopyrimidin-2-yl)-1-(3-methoxyphenyl)-N,N-dimethyl-ethane-1,2-diamine (1R)-N'-(5-bromopyrimidin-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) 3.21 8.61 -40.61 2 5 1 51 352.256 6 ↓
Mid Mid (pH 6-8) 3.21 6.63 -5.58 1 5 0 50 351.248 6 ↓

Analogs

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Popular Name: (1S)-N'-(5-bromopyrimidin-2-yl)-1-(3-methoxyphenyl)-N,N-dimethyl-ethane-1,2-diamine (1S)-N'-(5-bromopyrimidin-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) 3.21 8.62 -40.97 2 5 1 51 352.256 6 ↓
Mid Mid (pH 6-8) 3.21 6.07 -5.15 1 5 0 50 351.248 6 ↓

Analogs

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Popular Name: (1S)-2-[(5-bromopyrimidin-2-yl)amino]-1-phenyl-ethanol (1S)-2-[(5-bromopyrimidin-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) 2.38 5.04 -5.51 2 4 0 58 294.152 4 ↓

Analogs

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Popular Name: (1R)-2-[(5-bromopyrimidin-2-yl)amino]-1-phenyl-ethanol (1R)-2-[(5-bromopyrimidin-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) 2.38 5.13 -5.48 2 4 0 58 294.152 4 ↓

Analogs

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

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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 8.27 -5.96 1 3 0 38 296.143 4 ↓

Analogs

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Popular Name: 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine 5-bromo-N-[2-(4-nitrophenyl)ethy…

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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 8.94 -10.07 1 6 0 84 323.15 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenyl-propan-1-ol (2S)-2-[(5-bromopyrimidin-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) 2.73 5.93 -5.75 2 4 0 58 308.179 5 ↓

Analogs

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Popular Name: (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenyl-propan-1-ol (2R)-2-[(5-bromopyrimidin-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) 2.73 5.93 -5.77 2 4 0 58 308.179 5 ↓

Analogs

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Popular Name: 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-2-amine 5-bromo-N-[2-(3,5-difluorophenyl…

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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 8.36 -5.86 1 3 0 38 314.133 4 ↓

Analogs

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Popular Name: N-[2-(3,5-difluorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine N-[2-(3,5-difluorophenyl)ethyl]-…

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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) 3.81 8.79 -7.68 1 3 0 38 303.234 5 ↓

Analogs

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Popular Name: N-[2-(m-tolyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine N-[2-(m-tolyl)ethyl]-4-(trifluor…

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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) 3.97 9.32 -6.68 1 3 0 38 281.281 5 ↓

Analogs

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Popular Name: (1R)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-fluorophenyl)ethanol (1R)-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) 2.23 5.84 -8.85 2 4 0 58 261.3 4 ↓
Lo Low (pH 4.5-6) 2.23 6.18 -32.12 3 4 1 59 262.308 4 ↓

Analogs

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Popular Name: (1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-fluorophenyl)ethanol (1S)-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) 2.23 5.74 -9.04 2 4 0 58 261.3 4 ↓
Lo Low (pH 4.5-6) 2.23 6.09 -32.54 3 4 1 59 262.308 4 ↓

Analogs

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Popular Name: (1R)-1-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)amino]ethanol (1R)-1-(3-fluorophenyl)-2-[(4-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) 1.74 3.07 -8.29 2 5 0 67 263.272 5 ↓
Lo Low (pH 4.5-6) 1.74 3.46 -36.7 3 5 1 69 264.28 5 ↓

Analogs

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Popular Name: (1S)-1-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)amino]ethanol (1S)-1-(3-fluorophenyl)-2-[(4-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) 1.74 2.97 -8.49 2 5 0 67 263.272 5 ↓
Lo Low (pH 4.5-6) 1.74 3.37 -37.18 3 5 1 69 264.28 5 ↓

Analogs

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Popular Name: 4-amino-2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]pyrimidine-5-carbonitrile 4-amino-2-[[(1S,2R)-2-hydroxy-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) 1.46 6.74 -7.85 3 6 0 99 283.335 4 ↓

Analogs

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Popular Name: 4-amino-2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidine-5-carbonitrile 4-amino-2-[2-(3,4-dimethoxypheny…

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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) 1.77 8.17 -10.91 2 7 0 97 313.361 6 ↓

Analogs

19796931
19796931

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Popular Name: 4-amino-2-[methyl(phenethyl)amino]pyrimidine-5-carbonitrile 4-amino-2-[methyl(phenethyl)amin…

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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) 2.12 8.98 -6.82 2 5 0 79 253.309 4 ↓

Parameters Provided:

ring.id = 235
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 = 235 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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