UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-Bromo-5-phenoxypyrazine 2-Bromo-5-phenoxypyrazine

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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 3.43 -4.72 0 3 0 35 251.083 2 ↓

Analogs

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Popular Name: 2-[(4-pyrazin-2-yloxyanilino)methylene]propanedinitrile 2-[(4-pyrazin-2-yloxyanilino)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 4.08 -14.78 1 6 0 95 263.26 4 ↓

Analogs

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Popular Name: 2-chloro-6-(4-propylphenoxy)pyrazine 2-chloro-6-(4-propylphenoxy)pyra…

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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) 4.22 5.58 -4.42 0 3 0 35 248.713 4 ↓

Analogs

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Popular Name: 2-chloro-3-(4-propylphenoxy)pyrazine 2-chloro-3-(4-propylphenoxy)pyra…

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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) 4.22 5.59 -7.24 0 3 0 35 248.713 4 ↓

Analogs

37979819
37979819
37981623
37981623
37981704
37981704

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Popular Name: 2-chloro-6-(4-chloro-2-nitro-phenoxy)pyrazine 2-chloro-6-(4-chloro-2-nitro-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) 3.48 5.03 -8.22 0 6 0 81 286.074 3 ↓

Analogs

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Popular Name: (2S)-3-methyl-2-(3-methylbutanoylamino)-N-(4-pyrazin-2-yloxyphenyl)butanamide (2S)-3-methyl-2-(3-methylbutanoy…

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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) 3.16 4.82 -11.32 2 7 0 93 370.453 8 ↓

Analogs

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Popular Name: (2R)-3-methyl-2-(3-methylbutanoylamino)-N-(4-pyrazin-2-yloxyphenyl)butanamide (2R)-3-methyl-2-(3-methylbutanoy…

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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) 3.16 4.9 -11.01 2 7 0 93 370.453 8 ↓

Analogs

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Popular Name: [3-(2,3-difluorophenoxy)pyrazin-2-yl]methanamine [3-(2,3-difluorophenoxy)pyrazin-…

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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) 1.76 0.64 -11.03 2 4 0 61 237.209 3 ↓
Mid Mid (pH 6-8) 1.76 1.04 -42.8 3 4 1 63 238.217 3 ↓

Analogs

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Popular Name: 2-chloro-6-(2,3-difluorophenoxy)pyrazine 2-chloro-6-(2,3-difluorophenoxy)…

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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) 3.14 3.47 -8.22 0 3 0 35 242.612 2 ↓

Analogs

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Popular Name: 1-[3-(methanesulfonamido)propyl]-3-(4-pyrazin-2-yloxyphenyl)urea 1-[3-(methanesulfonamido)propyl]…

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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) 1.05 -1.7 -22.15 3 9 0 122 365.415 8 ↓

Analogs

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Popular Name: 3-phenoxypyrazine-2-carbonitrile 3-phenoxypyrazine-2-carbonitrile

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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) 2.10 0.46 -10.75 0 4 0 59 197.197 2 ↓

Analogs

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Popular Name: 3-(2,4-difluorophenoxy)-2-pyrazinecarbonitrile 3-(2,4-difluorophenoxy)-2-pyrazi…

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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) 2.36 1.86 -11 0 4 0 59 233.177 2 ↓

Analogs

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Popular Name: 3-(2-chlorophenoxy)-2-pyrazinecarbonitrile 3-(2-chlorophenoxy)-2-pyrazineca…

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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 0.25 -11.9 0 4 0 59 231.642 2 ↓

Analogs

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Popular Name: 3-(2,4-dichlorophenoxy)-2-pyrazinecarbonitrile 3-(2,4-dichlorophenoxy)-2-pyrazi…

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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 0.1 -10.2 0 4 0 58 266.087 2 ↓

Analogs

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Popular Name: 2-chloro-3-(2,3-difluorophenoxy)pyrazine 2-chloro-3-(2,3-difluorophenoxy)…

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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) 3.14 3.49 -11.27 0 3 0 35 242.612 2 ↓

Analogs

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Popular Name: 3-(2,3-difluorophenoxy)pyrazine-2-carbonitrile 3-(2,3-difluorophenoxy)pyrazine-…

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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) 2.33 3.38 -14.2 0 4 0 59 233.177 2 ↓

Analogs

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Popular Name: 3-(2,3-difluorophenoxy)pyrazine-2-carbothioamide 3-(2,3-difluorophenoxy)pyrazine-…

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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 2.53 -17.82 2 4 0 61 267.26 3 ↓

Analogs

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Popular Name: 3-(2,3-difluorophenoxy)pyrazine-2-carboxamidine 3-(2,3-difluorophenoxy)pyrazine-…

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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) 0.96 1.11 -33.7 4 5 1 87 251.216 3 ↓

Analogs

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Popular Name: 3-(2,3-difluorophenoxy)pyrazine-2-carboxylic 3-(2,3-difluorophenoxy)pyrazine-…

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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) 2.15 4.28 -62.19 0 5 -1 75 251.168 3 ↓

Analogs

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Popular Name: 3-(4-amino-2,5-dimethyl-phenoxy)pyrazine-2-carbonitrile 3-(4-amino-2,5-dimethyl-phenoxy)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 2.57 -11.29 2 5 0 85 240.266 2 ↓

Analogs

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Popular Name: 2,5-dimethyl-4-pyrazin-2-yloxy-aniline 2,5-dimethyl-4-pyrazin-2-yloxy-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) 2.35 2.26 -7.19 2 4 0 61 215.256 2 ↓

Analogs

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Popular Name: 2-chloro-6-(2,5-dimethyl-4-nitro-phenoxy)pyrazine 2-chloro-6-(2,5-dimethyl-4-nitro…

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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) 3.62 5.32 -6.47 0 6 0 81 279.683 3 ↓

Analogs

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Popular Name: 2-chloro-3-(2,5-dimethyl-4-nitro-phenoxy)pyrazine 2-chloro-3-(2,5-dimethyl-4-nitro…

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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) 3.62 5.35 -8.45 0 6 0 81 279.683 3 ↓

Analogs

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Popular Name: 3-(2,5-dimethyl-4-nitro-phenoxy)pyrazine-2-carboxamidine 3-(2,5-dimethyl-4-nitro-phenoxy)…

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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) 1.45 2.99 -37.53 4 8 1 132 288.287 4 ↓

Analogs

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Popular Name: 3-(2,5-dimethyl-4-nitro-phenoxy)pyrazine-2-carboxylic 3-(2,5-dimethyl-4-nitro-phenoxy)…

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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) 2.63 6.1 -52.93 0 8 -1 121 288.239 4 ↓

Analogs

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Popular Name: [3-(3,5-difluorophenoxy)pyrazin-2-yl]methanamine [3-(3,5-difluorophenoxy)pyrazin-…

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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) 1.79 0.71 -5.61 2 4 0 61 237.209 3 ↓
Mid Mid (pH 6-8) 1.79 1.11 -44.02 3 4 1 63 238.217 3 ↓

Analogs

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Popular Name: 2-chloro-6-(3,5-difluorophenoxy)pyrazine 2-chloro-6-(3,5-difluorophenoxy)…

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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 3.49 -3.8 0 3 0 35 242.612 2 ↓

Analogs

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Popular Name: 2-chloro-3-(3,5-difluorophenoxy)pyrazine 2-chloro-3-(3,5-difluorophenoxy)…

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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 3.56 -6.24 0 3 0 35 242.612 2 ↓

Analogs

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Popular Name: 3-(3,5-difluorophenoxy)pyrazine-2-carbonitrile 3-(3,5-difluorophenoxy)pyrazine-…

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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) 2.36 3.44 -9.32 0 4 0 59 233.177 2 ↓

Analogs

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Popular Name: 3-(3,5-difluorophenoxy)pyrazine-2-carbothioamide 3-(3,5-difluorophenoxy)pyrazine-…

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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) 2.40 2.6 -12.65 2 4 0 61 267.26 3 ↓

Analogs

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Popular Name: 3-(3,5-difluorophenoxy)pyrazine-2-carboxamidine 3-(3,5-difluorophenoxy)pyrazine-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 1.27 -31.85 4 5 1 87 251.216 3 ↓

Analogs

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Popular Name: 3-(3,5-difluorophenoxy)pyrazine-2-carboxylic 3-(3,5-difluorophenoxy)pyrazine-…

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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) 2.18 4.36 -53.25 0 5 -1 75 251.168 3 ↓

Analogs

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Popular Name: (2S)-2-isopentyloxy-N-(4-pyrazin-2-yloxyphenyl)propanamide (2S)-2-isopentyloxy-N-(4-pyrazin…

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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) 3.29 5.73 -14.34 1 6 0 73 329.4 8 ↓

Analogs

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Popular Name: (2R)-2-isopentyloxy-N-(4-pyrazin-2-yloxyphenyl)propanamide (2R)-2-isopentyloxy-N-(4-pyrazin…

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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) 3.29 5.75 -14.29 1 6 0 73 329.4 8 ↓

Analogs

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Popular Name: 2-(5-bromo-2-chloro-phenoxy)-6-chloro-pyrazine 2-(5-bromo-2-chloro-phenoxy)-6-c…

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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) 4.33 4.47 -4.36 0 3 0 35 319.973 2 ↓

Analogs

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Popular Name: 2-(5-bromo-2-chloro-phenoxy)-3-chloro-pyrazine 2-(5-bromo-2-chloro-phenoxy)-3-c…

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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) 4.33 4.5 -7.35 0 3 0 35 319.973 2 ↓

Analogs

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Popular Name: 2-hydrazino-3-(4-methylphenoxy)pyrazine 2-hydrazino-3-(4-methylphenoxy)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) 1.92 2.34 -7.5 3 5 0 73 216.244 3 ↓

Analogs

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Popular Name: 3-(5-amino-2-chloro-phenoxy)pyrazine-2-carbonitrile 3-(5-amino-2-chloro-phenoxy)pyra…

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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 1.63 -12.23 2 5 0 85 246.657 2 ↓

Analogs

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Popular Name: 2-chloro-6-(2-chloro-5-nitro-phenoxy)pyrazine 2-chloro-6-(2-chloro-5-nitro-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) 3.48 4.57 -6.75 0 6 0 81 286.074 3 ↓

Analogs

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Popular Name: 2-chloro-3-(2-chloro-5-nitro-phenoxy)pyrazine 2-chloro-3-(2-chloro-5-nitro-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) 3.48 4.6 -9.6 0 6 0 81 286.074 3 ↓

Analogs

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Popular Name: 3-(2-chloro-5-nitro-phenoxy)pyrazine-2-carbonitrile 3-(2-chloro-5-nitro-phenoxy)pyra…

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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) 2.67 4.47 -12.8 0 7 0 105 276.639 3 ↓

Analogs

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Popular Name: 3-(2-chloro-5-nitro-phenoxy)pyrazine-2-carboxamidine 3-(2-chloro-5-nitro-phenoxy)pyra…

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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) 1.30 2.17 -34.33 4 8 1 132 294.678 4 ↓

Analogs

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Popular Name: 3-(2-chloro-5-nitro-phenoxy)pyrazine-2-carboxylic 3-(2-chloro-5-nitro-phenoxy)pyra…

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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) 2.48 5.36 -57.26 0 8 -1 121 294.63 4 ↓

Analogs

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Popular Name: [3-[3-(methoxymethyl)phenoxy]pyrazin-2-yl]methanamine [3-[3-(methoxymethyl)phenoxy]pyr…

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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 0.26 -8.74 2 5 0 70 245.282 5 ↓
Mid Mid (pH 6-8) 1.46 0.66 -42.26 3 5 1 72 246.29 5 ↓

Analogs

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Popular Name: 2-chloro-6-[3-(methoxymethyl)phenoxy]pyrazine 2-chloro-6-[3-(methoxymethyl)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) 2.84 3.08 -6.02 0 4 0 44 250.685 4 ↓

Analogs

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Popular Name: 2-chloro-3-[3-(methoxymethyl)phenoxy]pyrazine 2-chloro-3-[3-(methoxymethyl)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) 2.84 3.1 -9.21 0 4 0 44 250.685 4 ↓

Analogs

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Popular Name: 3-[3-(methoxymethyl)phenoxy]pyrazine-2-carbonitrile 3-[3-(methoxymethyl)phenoxy]pyra…

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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 2.98 -12.19 0 5 0 68 241.25 4 ↓

Analogs

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Popular Name: 3-[3-(methoxymethyl)phenoxy]pyrazine-2-carbothioamide 3-[3-(methoxymethyl)phenoxy]pyra…

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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 2.13 -16.23 2 5 0 70 275.333 5 ↓

Analogs

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Popular Name: 3-[3-(methoxymethyl)phenoxy]pyrazine-2-carboxamidine 3-[3-(methoxymethyl)phenoxy]pyra…

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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) 0.66 0.72 -30.37 4 6 1 96 259.289 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(methoxymethyl)phenoxy]pyrazine-2-carboxylic 3-[3-(methoxymethyl)phenoxy]pyra…

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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) 1.85 3.89 -61.3 0 6 -1 84 259.241 5 ↓

Parameters Provided:

ring.id = 20219
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 = 20219 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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