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Analogs

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Popular Name: (E)-3-[3-[2-(2-pyridylsulfanyl)ethoxy]phenyl]prop-2-enoic (E)-3-[3-[2-(2-pyridylsulfanyl)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) 3.27 9.23 -52.37 0 4 -1 62 300.359 7 ↓

Analogs

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Popular Name: (E)-3-[4-[2-(2-pyridylsulfanyl)ethoxy]phenyl]prop-2-enoic (E)-3-[4-[2-(2-pyridylsulfanyl)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) 3.29 9.25 -51.97 0 4 -1 62 300.359 7 ↓

Analogs

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Popular Name: ethyl 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) 4.23 2.36 -7.63 0 5 0 72 376.865 8 ↓

Analogs

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Popular Name: ethyl 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) 4.05 2.77 -6.74 0 5 0 72 356.447 8 ↓

Analogs

13022031
13022031
13022280
13022280

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Popular Name: 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[2-(4-ethoxyphenoxy)ethylsulfa…

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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) 4.09 8.47 -55.4 0 5 -1 71 346.428 8 ↓

Analogs

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Popular Name: 2-[2-[4-(dimethylsulfamoyl)phenoxy]ethylsulfanyl]pyridine-3-carboxylic 2-[2-[4-(dimethylsulfamoyl)pheno…

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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 4.94 -53.88 0 7 -1 100 381.455 8 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-[2-(2-methylphenoxy)ethylsulfanyl]pyridine-3-carbonitrile 4,6-dimethyl-2-[2-(2-methylpheno…

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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) 4.24 9.54 -8.55 0 3 0 46 298.411 5 ↓

Analogs

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Popular Name: 2-amino-6-(2-phenoxyethylsulfanyl)pyridine-3,5-dicarbonitrile 2-amino-6-(2-phenoxyethylsulfany…

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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) 2.53 6.81 -8.46 2 5 0 96 296.355 5 ↓

Analogs

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Popular Name: 2-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]pyridine-3,5-dicarbonitrile 2-amino-6-[2-(4-chlorophenoxy)et…

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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 7.33 -8.42 2 5 0 96 330.8 5 ↓

Analogs

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Popular Name: 2-amino-6-[2-(2-methylphenoxy)ethylsulfanyl]pyridine-3,5-dicarbonitrile 2-amino-6-[2-(2-methylphenoxy)et…

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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) 2.93 7.57 -8.57 2 5 0 96 310.382 5 ↓

Analogs

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Popular Name: 2-amino-6-[2-(3-chlorophenoxy)ethylsulfanyl]pyridine-3,5-dicarbonitrile 2-amino-6-[2-(3-chlorophenoxy)et…

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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 7.33 -8.57 2 5 0 96 330.8 5 ↓

Analogs

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Popular Name: 2-amino-6-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridine-3,5-dicarbonitrile 2-amino-6-[2-(2,4-dichlorophenox…

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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) 3.82 7.88 -8.82 2 5 0 96 365.245 5 ↓

Analogs

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Popular Name: 2-amino-6-[2-(4-propoxyphenoxy)ethylsulfanyl]pyridine-3,5-dicarbonitrile 2-amino-6-[2-(4-propoxyphenoxy)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) 3.47 7.82 -9.28 2 6 0 105 354.435 8 ↓

Analogs

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Popular Name: 2-amino-6-[2-(4-cyanophenoxy)ethylsulfanyl]pyridine-3,5-dicarbonitrile 2-amino-6-[2-(4-cyanophenoxy)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) 2.29 7.22 -11.56 2 6 0 120 321.365 5 ↓

Analogs

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Popular Name: 2-[2-(2-chlorophenoxy)ethylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide 2-[2-(2-chlorophenoxy)ethylsulfa…

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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 6.15 -12.35 2 4 0 65 350.871 6 ↓

Analogs

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Popular Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(3,5-dimethylphenoxy)ethyls…

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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) 4.01 9.27 -45.58 0 4 -1 62 302.375 6 ↓

Analogs

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Popular Name: 2-[2-(2-chlorophenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(2-chlorophenoxy)ethylsulfa…

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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 8.5 -46.36 0 4 -1 62 308.766 6 ↓

Analogs

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Popular Name: 2-[2-(4-chlorophenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(4-chlorophenoxy)ethylsulfa…

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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 8.46 -44.56 0 4 -1 62 308.766 6 ↓

Analogs

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Popular Name: 2-[2-(4-methylphenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(4-methylphenoxy)ethylsulfa…

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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 8.61 -45.33 0 4 -1 62 288.348 6 ↓

Analogs

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Popular Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(3-methylphenoxy)ethylsulfa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 8.61 -45.54 0 4 -1 62 288.348 6 ↓

Analogs

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Popular Name: 2-[2-(2-methylphenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(2-methylphenoxy)ethylsulfa…

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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) 3.58 8.69 -45.53 0 4 -1 62 288.348 6 ↓

Analogs

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Popular Name: 2-[2-(4-fluorophenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(4-fluorophenoxy)ethylsulfa…

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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 8.01 -44.95 0 4 -1 62 292.311 6 ↓

Analogs

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Popular Name: 2-[2-(3-chlorophenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(3-chlorophenoxy)ethylsulfa…

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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) 3.83 8.46 -45.24 0 4 -1 62 308.766 6 ↓

Analogs

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Popular Name: 2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(2,5-dimethylphenoxy)ethyls…

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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) 4.01 9.36 -45.53 0 4 -1 62 302.375 6 ↓

Analogs

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Popular Name: 2-[2-(2-fluorophenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(2-fluorophenoxy)ethylsulfa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.30 8.01 -47.62 0 4 -1 62 292.311 6 ↓

Analogs

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Popular Name: 2-[2-(4-bromophenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(4-bromophenoxy)ethylsulfan…

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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) 3.99 8.56 -44.45 0 4 -1 62 353.217 6 ↓

Analogs

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Popular Name: 2-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(2,6-dichlorophenoxy)ethyls…

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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) 4.44 9.19 -47.01 0 4 -1 62 343.211 6 ↓

Analogs

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Popular Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(4-cyanophenoxy)ethylsulfan…

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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) 2.94 8.34 -47.06 0 5 -1 86 299.331 6 ↓

Analogs

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Popular Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(3-bromophenoxy)ethylsulfan…

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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 8.56 -45.21 0 4 -1 62 353.217 6 ↓

Analogs

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Popular Name: 2-[2-(4-methoxyphenoxy)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(4-methoxyphenoxy)ethylsulf…

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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 7.22 -46.29 0 5 -1 71 304.347 7 ↓

Analogs

48398207
48398207

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Popular Name: 3-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethoxy]aniline 3-[2-[[5-(trifluoromethyl)-2-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) 3.27 6.21 -6.28 2 3 0 48 314.332 6 ↓

Analogs

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Popular Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(4-isopropyl-3-methyl-pheno…

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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) 4.17 7.78 -6.94 2 3 0 48 302.443 6 ↓

Analogs

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Popular Name: 4-[2-[(3-amino-2-pyridyl)sulfanyl]ethoxy]benzenesulfonamide 4-[2-[(3-amino-2-pyridyl)sulfany…

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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 0.3 -13.78 4 6 0 108 325.415 6 ↓
Lo Low (pH 4.5-6) 1.45 0.69 -39.79 5 6 1 110 326.423 6 ↓

Analogs

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Popular Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(4-tert-butylphenoxy)ethyls…

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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) 4.46 7.65 -6.65 2 3 0 48 302.443 6 ↓

Analogs

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Popular Name: 2-[2-(4-propoxyphenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(4-propoxyphenoxy)ethylsulf…

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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 6.34 -7.49 2 4 0 57 304.415 8 ↓

Analogs

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Popular Name: 1-[2-[2-[(3-amino-2-pyridyl)sulfanyl]ethoxy]phenyl]ethanone 1-[2-[2-[(3-amino-2-pyridyl)sulf…

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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) 2.60 7.1 -14.57 2 4 0 65 288.372 6 ↓
Lo Low (pH 4.5-6) 2.60 7.5 -32.52 3 4 1 66 289.38 6 ↓

Analogs

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Popular Name: 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(4-ethoxyphenoxy)ethylsulfa…

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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 5.54 -7.78 2 4 0 57 290.388 7 ↓

Analogs

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Popular Name: 2-[2-(4-methoxyphenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(4-methoxyphenoxy)ethylsulf…

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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 4.61 -7.96 2 4 0 57 276.361 6 ↓

Analogs

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Popular Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(3-bromophenoxy)ethylsulfan…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 5.95 -6.52 2 3 0 48 325.231 5 ↓

Analogs

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Popular Name: 2-[2-(2-bromo-4-chloro-phenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(2-bromo-4-chloro-phenoxy)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) 4.17 6.51 -7.16 2 3 0 48 359.676 5 ↓
Lo Low (pH 4.5-6) 4.17 6.91 -31.89 3 3 1 49 360.684 5 ↓

Analogs

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Popular Name: 4-[2-[(3-amino-2-pyridyl)sulfanyl]ethoxy]benzonitrile 4-[2-[(3-amino-2-pyridyl)sulfany…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 5.74 -9.07 2 4 0 72 271.345 5 ↓

Analogs

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Popular Name: 2-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(2,6-dichlorophenoxy)ethyls…

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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) 4.01 6.58 -8.13 2 3 0 48 315.225 5 ↓

Analogs

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Popular Name: 2-[2-(4-bromophenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(4-bromophenoxy)ethylsulfan…

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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) 3.56 5.95 -6.35 2 3 0 48 325.231 5 ↓

Analogs

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Popular Name: 2-[2-(2-fluorophenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(2-fluorophenoxy)ethylsulfa…

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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 5.4 -9.61 2 3 0 48 264.325 5 ↓

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Popular Name: 2-(2-phenoxyethylsulfanyl)pyridin-3-amine 2-(2-phenoxyethylsulfanyl)pyridi…

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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 5.33 -7.15 2 3 0 48 246.335 5 ↓
Lo Low (pH 4.5-6) 2.75 5.73 -30.42 3 3 1 49 247.343 5 ↓

Analogs

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Popular Name: 2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(2,5-dimethylphenoxy)ethyls…

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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) 3.58 6.75 -7.18 2 3 0 48 274.389 5 ↓

Analogs

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Popular Name: 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(2,4-dichlorophenoxy)ethyls…

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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) 4.04 6.4 -7.24 2 3 0 48 315.225 5 ↓

Analogs

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Popular Name: 2-[2-(3-chlorophenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(3-chlorophenoxy)ethylsulfa…

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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 5.85 -6.58 2 3 0 48 280.78 5 ↓

Analogs

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Popular Name: 2-[2-(4-fluorophenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(4-fluorophenoxy)ethylsulfa…

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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) 2.92 5.4 -6.9 2 3 0 48 264.325 5 ↓

Analogs

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Popular Name: 2-[2-(2-methylphenoxy)ethylsulfanyl]pyridin-3-amine 2-[2-(2-methylphenoxy)ethylsulfa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 6.08 -7.14 2 3 0 48 260.362 5 ↓

Parameters Provided:

ring.id = 2003
filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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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 = 2003 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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