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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-methyl-N1-(2-phenoxyethyl)benzene-1,3-diamine 4-methyl-N1-(2-phenoxyethyl)benz…

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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) 3.34 5.38 -5.68 3 3 0 47 242.322 5 ↓

Analogs

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Popular Name: 4-methyl-N1-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine 4-methyl-N1-[2-(3-methylphenoxy)…

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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 6.06 -5.78 3 3 0 47 256.349 5 ↓

Analogs

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Popular Name: N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-3-methyl-aniline N-[2-[3-(aminomethyl)phenoxy]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) 3.68 8.21 -44.1 3 3 1 40 285.411 7 ↓

Analogs

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Popular Name: 3-[2-(N-ethyl-3-methyl-anilino)ethoxy]benzonitrile 3-[2-(N-ethyl-3-methyl-anilino)e…

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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) 4.25 10.57 -8.76 0 3 0 36 280.371 6 ↓

Analogs

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Popular Name: 2-[2-(N-ethyl-3-methyl-anilino)ethoxy]benzonitrile 2-[2-(N-ethyl-3-methyl-anilino)e…

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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) 4.23 10.59 -10.32 0 3 0 36 280.371 6 ↓

Analogs

37855085
37855085
42895336
42895336
19737692
19737692
2999484
2999484

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Popular Name: N2-[2-(4-chlorophenoxy)ethyl]benzene-1,2-diamine N2-[2-(4-chlorophenoxy)ethyl]ben…

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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) 3.59 5.41 -5.09 3 3 0 47 262.74 5 ↓

Analogs

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Popular Name: 4-nitro-N1-(2-phenoxyethyl)benzene-1,2-diamine 4-nitro-N1-(2-phenoxyethyl)benze…

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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) 2.85 5.6 -10.21 3 6 0 93 273.292 6 ↓

Analogs

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Popular Name: N1-[2-(3-methylphenoxy)ethyl]-4-nitro-benzene-1,2-diamine N1-[2-(3-methylphenoxy)ethyl]-4-…

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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) 3.27 6.28 -10.29 3 6 0 93 287.319 6 ↓

Analogs

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Popular Name: 5-chloro-2-[2-(3-methylphenoxy)ethylamino]benzonitrile 5-chloro-2-[2-(3-methylphenoxy)e…

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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) 4.26 8.33 -8.5 1 3 0 45 286.762 5 ↓

Analogs

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Popular Name: 2-[2-(3-aminophenoxy)ethylamino]-5-chloro-benzonitrile 2-[2-(3-aminophenoxy)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 5.53 -9.14 3 4 0 71 287.75 5 ↓

Analogs

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Popular Name: 2-[2-(2-aminophenoxy)ethylamino]-5-chloro-benzonitrile 2-[2-(2-aminophenoxy)ethylamino]…

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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) 3.27 5.65 -8.27 3 4 0 71 287.75 5 ↓

Analogs

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Popular Name: 2-[2-(2-aminophenoxy)ethylamino]-5-chloro-benzamide 2-[2-(2-aminophenoxy)ethylamino]…

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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 2.4 -9.21 5 5 0 90 305.765 6 ↓

Analogs

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Popular Name: 5-chloro-2-(2-phenoxyethylamino)benzenecarbothioamide 5-chloro-2-(2-phenoxyethylamino)…

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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) 3.88 6.51 -12.47 3 3 0 47 306.818 6 ↓

Analogs

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Popular Name: 5-chloro-2-[2-(3-methylphenoxy)ethylamino]benzenecarbothioamide 5-chloro-2-[2-(3-methylphenoxy)e…

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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) 4.31 7.18 -12.55 3 3 0 47 320.845 6 ↓

Analogs

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Popular Name: 2-[2-(4-aminophenoxy)ethylamino]-6-chloro-benzonitrile 2-[2-(4-aminophenoxy)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 5.42 -10.84 3 4 0 71 287.75 5 ↓
Lo Low (pH 4.5-6) 2.89 5.29 -50.04 4 4 1 73 288.758 5 ↓

Analogs

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Popular Name: 2-[2-(3-aminophenoxy)ethylamino]-6-chloro-benzonitrile 2-[2-(3-aminophenoxy)ethylamino]…

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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) 2.87 5.43 -11.11 3 4 0 71 287.75 5 ↓

Analogs

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Popular Name: 2-[2-(3-aminophenoxy)ethylamino]-6-chloro-benzamide 2-[2-(3-aminophenoxy)ethylamino]…

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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) 1.93 1.72 -11.58 5 5 0 90 305.765 6 ↓

Analogs

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Popular Name: 2-[2-(2-aminophenoxy)ethylamino]-6-chloro-benzonitrile 2-[2-(2-aminophenoxy)ethylamino]…

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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 5.55 -10.14 3 4 0 71 287.75 5 ↓

Analogs

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Popular Name: 2-[2-(2-aminophenoxy)ethylamino]-6-chloro-benzamide 2-[2-(2-aminophenoxy)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 1.84 -10.99 5 5 0 90 305.765 6 ↓

Analogs

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Popular Name: 2-chloro-6-(2-phenoxyethylamino)benzenecarbothioamide 2-chloro-6-(2-phenoxyethylamino)…

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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) 3.86 6.41 -15.02 3 3 0 47 306.818 6 ↓

Analogs

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Popular Name: 2-chloro-6-[2-(3-methylphenoxy)ethylamino]benzenecarbothioamide 2-chloro-6-[2-(3-methylphenoxy)e…

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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) 4.28 7.09 -15.16 3 3 0 47 320.845 6 ↓

Analogs

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Popular Name: 3-[2-(methyl-phenyl-amino)ethoxy]benzoic 3-[2-(methyl-phenyl-amino)ethoxy…

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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 0.88 -54.17 0 4 -1 53 270.308 6 ↓

Analogs

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Popular Name: 3-[2-(ethyl-phenyl-amino)ethoxy]benzoic 3-[2-(ethyl-phenyl-amino)ethoxy]…

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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) 3.98 1.31 -56.83 0 4 -1 53 284.335 7 ↓

Analogs

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Popular Name: 2-[2-[(4-hydroxyphenyl)-methyl-amino]ethoxy]benzoic 2-[2-[(4-hydroxyphenyl)-methyl-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) 3.19 -0.76 -62.98 1 5 -1 73 286.307 6 ↓

Analogs

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Popular Name: N-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]aniline N-[(2S)-2-[4-(trifluoromethyl)ph…

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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) 4.74 8.29 -4.79 1 2 0 21 295.304 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]aniline N-[(2R)-2-[4-(trifluoromethyl)ph…

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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) 4.74 8.34 -4.75 1 2 0 21 295.304 6 ↓

Analogs

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Popular Name: N-[2-[4-(trifluoromethyl)phenoxy]ethyl]aniline N-[2-[4-(trifluoromethyl)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) 4.37 7.73 -5.28 1 2 0 21 281.277 6 ↓

Analogs

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Popular Name: N-[(2S)-2-[2-[(E)-prop-1-enyl]phenoxy]propyl]aniline N-[(2S)-2-[2-[(E)-prop-1-enyl]ph…

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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) 4.71 9.32 -4.93 1 2 0 21 267.372 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[2-[(E)-prop-1-enyl]phenoxy]propyl]aniline N-[(2R)-2-[2-[(E)-prop-1-enyl]ph…

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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) 4.71 9.37 -4.87 1 2 0 21 267.372 6 ↓

Analogs

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Popular Name: N-[2-[2-[(E)-prop-1-enyl]phenoxy]ethyl]aniline N-[2-[2-[(E)-prop-1-enyl]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) 4.35 8.75 -5.28 1 2 0 21 253.345 6 ↓

Analogs

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Popular Name: N-[2-(2,6-dimethoxyphenoxy)ethyl]-4-fluoro-aniline N-[2-(2,6-dimethoxyphenoxy)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) 3.26 6.64 -8.44 1 4 0 40 291.322 7 ↓

Analogs

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Popular Name: 2-bromo-N-[2-(2,6-dimethoxyphenoxy)ethyl]aniline 2-bromo-N-[2-(2,6-dimethoxypheno…

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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) 3.86 7.29 -8.69 1 4 0 40 352.228 7 ↓

Analogs

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Popular Name: 2-chloro-N-[2-(2,6-dimethoxyphenoxy)ethyl]aniline 2-chloro-N-[2-(2,6-dimethoxyphen…

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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) 3.73 7.17 -8.8 1 4 0 40 307.777 7 ↓

Analogs

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Popular Name: N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methyl-aniline N-[2-(2,6-dimethoxyphenoxy)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) 3.52 7.24 -8.42 1 4 0 40 287.359 7 ↓

Analogs

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Popular Name: N-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methyl-aniline N-[2-(2,6-dimethoxyphenoxy)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) 3.55 7.25 -8.25 1 4 0 40 287.359 7 ↓

Analogs

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Popular Name: 4-chloro-N-[2-(2,6-dimethoxyphenoxy)ethyl]aniline 4-chloro-N-[2-(2,6-dimethoxyphen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 7.1 -7.81 1 4 0 40 307.777 7 ↓

Analogs

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Popular Name: N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-fluoro-aniline N-[2-(2,6-dimethoxyphenoxy)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) 3.21 6.67 -9.73 1 4 0 40 291.322 7 ↓

Analogs

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Popular Name: 3-chloro-N-[2-(2,6-dimethoxyphenoxy)ethyl]aniline 3-chloro-N-[2-(2,6-dimethoxyphen…

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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) 3.75 7.1 -8.12 1 4 0 40 307.777 7 ↓

Analogs

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Popular Name: N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-fluoro-aniline N-[2-(2,6-dimethoxyphenoxy)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) 3.24 6.64 -8.74 1 4 0 40 291.322 7 ↓

Analogs

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Popular Name: 3-bromo-N-[2-(2,6-dimethoxyphenoxy)ethyl]aniline 3-bromo-N-[2-(2,6-dimethoxypheno…

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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) 3.88 7.2 -8.06 1 4 0 40 352.228 7 ↓

Analogs

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Popular Name: N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methyl-aniline N-[2-(2,6-dimethoxyphenoxy)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) 3.50 7.37 -8.37 1 4 0 40 287.359 7 ↓

Analogs

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Popular Name: 4-bromo-N-[2-(2,6-dimethoxyphenoxy)ethyl]aniline 4-bromo-N-[2-(2,6-dimethoxypheno…

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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) 3.91 7.2 -7.74 1 4 0 40 352.228 7 ↓

Analogs

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Popular Name: N-[2-(2,6-dimethoxyphenoxy)ethyl]aniline N-[2-(2,6-dimethoxyphenoxy)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) 3.10 6.58 -8.23 1 4 0 40 273.332 7 ↓

Analogs

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Popular Name: N-[(2S)-2-[2-(trifluoromethyl)phenoxy]propyl]aniline N-[(2S)-2-[2-(trifluoromethyl)ph…

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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) 4.69 8.38 -7.1 1 2 0 21 295.304 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[2-(trifluoromethyl)phenoxy]propyl]aniline N-[(2R)-2-[2-(trifluoromethyl)ph…

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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) 4.69 8.43 -7.09 1 2 0 21 295.304 6 ↓

Analogs

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Popular Name: N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline N-[2-[2-(trifluoromethyl)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) 4.32 7.82 -7.5 1 2 0 21 281.277 6 ↓

Analogs

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Popular Name: N-[2-(2,4-difluorophenoxy)ethyl]-4-fluoro-aniline N-[2-(2,4-difluorophenoxy)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) 3.90 6.93 -8.03 1 2 0 21 267.25 5 ↓

Analogs

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Popular Name: 2-bromo-N-[2-(2,4-difluorophenoxy)ethyl]aniline 2-bromo-N-[2-(2,4-difluorophenox…

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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) 4.49 7.58 -7.8 1 2 0 21 328.156 5 ↓

Analogs

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Popular Name: 2-chloro-N-[2-(2,4-difluorophenoxy)ethyl]aniline 2-chloro-N-[2-(2,4-difluoropheno…

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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) 4.36 7.45 -7.74 1 2 0 21 283.705 5 ↓

Analogs

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Popular Name: N-[2-(2,4-difluorophenoxy)ethyl]-3-methyl-aniline N-[2-(2,4-difluorophenoxy)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) 4.16 7.53 -7.16 1 2 0 21 263.287 5 ↓

Parameters Provided:

ring.id = 6786
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 = 6786 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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