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Analogs

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Popular Name: (1S)-1-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]ethanamine (1S)-1-[3-chloro-4-[[5-(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) 2.54 7.16 -50.73 3 2 1 41 333.786 4 ↓
Hi High (pH 8-9.5) 2.54 6.83 -5.39 2 2 0 39 332.778 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]ethanamine (1R)-1-[3-chloro-4-[[5-(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) 2.54 7.15 -51.19 3 2 1 41 333.786 4 ↓
Hi High (pH 8-9.5) 2.54 6.86 -4.51 2 2 0 39 332.778 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]ethanamine (1S)-1-[3-bromo-4-[[5-(trifluoro…

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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 7.26 -50.74 3 2 1 41 378.237 4 ↓
Hi High (pH 8-9.5) 2.67 6.92 -5.28 2 2 0 39 377.229 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]ethanamine (1R)-1-[3-bromo-4-[[5-(trifluoro…

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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 7.25 -51.19 3 2 1 41 378.237 4 ↓
Hi High (pH 8-9.5) 2.67 6.95 -4.42 2 2 0 39 377.229 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(2-pyridylsul…

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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) 3.89 7.98 -45.17 2 2 1 29 279.816 4 ↓
Hi High (pH 8-9.5) 3.89 6.81 -5.14 1 2 0 25 278.808 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(2-pyridylsul…

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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) 3.89 7.98 -45.46 2 2 1 29 279.816 4 ↓
Hi High (pH 8-9.5) 3.89 6.81 -6.04 1 2 0 25 278.808 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-(2-pyridylsul…

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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) 4.27 8.82 -43.77 2 2 1 29 293.843 5 ↓
Hi High (pH 8-9.5) 4.27 7.73 -5.96 1 2 0 25 292.835 5 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-(2-pyridylsul…

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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) 4.27 8.82 -43.97 2 2 1 29 293.843 5 ↓
Hi High (pH 8-9.5) 4.27 7.72 -5.06 1 2 0 25 292.835 5 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-pyridylsulfanyl)phenyl]ethanamine (1S)-1-[3-chloro-4-(2-pyridylsul…

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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) 1.64 6.22 -50.95 3 2 1 41 265.789 3 ↓
Hi High (pH 8-9.5) 1.64 5.88 -6.52 2 2 0 39 264.781 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-pyridylsulfanyl)phenyl]ethanamine (1R)-1-[3-chloro-4-(2-pyridylsul…

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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) 1.64 6.21 -51.21 3 2 1 41 265.789 3 ↓
Hi High (pH 8-9.5) 1.64 5.88 -5.92 2 2 0 39 264.781 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-pyridylsulfanyl)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(2-pyridylsulf…

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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) 4.02 8.07 -45.17 2 2 1 29 324.267 4 ↓
Hi High (pH 8-9.5) 4.02 6.9 -4.98 1 2 0 25 323.259 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-pyridylsulfanyl)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(2-pyridylsulf…

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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) 4.02 8.08 -45.3 2 2 1 29 324.267 4 ↓
Hi High (pH 8-9.5) 4.02 6.9 -5.86 1 2 0 25 323.259 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-pyridylsulfanyl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(2-pyridylsulf…

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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) 4.40 8.92 -43.68 2 2 1 29 338.294 5 ↓
Hi High (pH 8-9.5) 4.40 7.83 -5.79 1 2 0 25 337.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-(2-pyridylsulfanyl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-(2-pyridylsulf…

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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) 4.40 8.92 -43.91 2 2 1 29 338.294 5 ↓
Hi High (pH 8-9.5) 4.40 7.81 -4.88 1 2 0 25 337.286 5 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-pyridylsulfanyl)phenyl]ethanamine (1S)-1-[3-bromo-4-(2-pyridylsulf…

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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 6.31 -50.87 3 2 1 41 310.24 3 ↓
Hi High (pH 8-9.5) 1.77 5.97 -5.69 2 2 0 39 309.232 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-pyridylsulfanyl)phenyl]ethanamine (1R)-1-[3-bromo-4-(2-pyridylsulf…

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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 6.3 -51.14 3 2 1 41 310.24 3 ↓
Hi High (pH 8-9.5) 1.77 5.97 -6.23 2 2 0 39 309.232 3 ↓

Analogs

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Popular Name: 2-(4-methyl-3-nitro-phenyl)sulfanylpyridine-3-carboxylic 2-(4-methyl-3-nitro-phenyl)sulfa…

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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) 3.03 8.78 -49.95 0 6 -1 99 289.292 4 ↓

Analogs

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Popular Name: 2-(4-methyl-3-nitro-phenyl)sulfanylpyridine-4-carboxylic 2-(4-methyl-3-nitro-phenyl)sulfa…

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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) 3.37 8.89 -48.08 0 6 -1 99 289.292 4 ↓

Analogs

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Popular Name: 6-(4-methyl-3-nitro-phenyl)sulfanylpyridine-3-carboxylic 6-(4-methyl-3-nitro-phenyl)sulfa…

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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 8.87 -48.46 0 6 -1 99 289.292 4 ↓

Analogs

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Popular Name: 2-methyl-5-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]aniline 2-methyl-5-[[5-(trifluoromethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.93 6.6 -5.36 2 2 0 39 284.306 3 ↓

Analogs

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Popular Name: 2-methyl-5-(2-pyridylsulfanyl)aniline 2-methyl-5-(2-pyridylsulfanyl)an…

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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) 3.03 5.65 -6.81 2 2 0 39 216.309 2 ↓

Analogs

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Popular Name: 2-(3-nitrophenyl)sulfanylpyridine-3-carboxylic 2-(3-nitrophenyl)sulfanylpyridin…

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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 8.14 -49.72 0 6 -1 99 275.265 4 ↓

Analogs

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Popular Name: 4-[(3-methyl-5-nitro-2-pyridyl)sulfanyl]phenol 4-[(3-methyl-5-nitro-2-pyridyl)s…

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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 5.4 -7.77 1 5 0 79 262.29 3 ↓

Analogs

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Popular Name: 2-[(3-methyl-5-nitro-2-pyridyl)sulfanyl]phenol 2-[(3-methyl-5-nitro-2-pyridyl)s…

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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 5.46 -8.45 1 5 0 79 262.29 3 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(4-chlorophenyl)sulfanyl-5-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) 3.88 5.96 -5.54 2 2 0 39 250.754 2 ↓

Analogs

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Popular Name: 5-methyl-6-phenylsulfanyl-pyridin-3-amine 5-methyl-6-phenylsulfanyl-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) 3.20 5.44 -6.81 2 2 0 39 216.309 2 ↓
Lo Low (pH 4.5-6) 3.20 5.81 -23.81 3 2 1 40 217.317 2 ↓

Analogs

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Popular Name: 5-methyl-6-(p-tolylsulfanyl)pyridin-3-amine 5-methyl-6-(p-tolylsulfanyl)pyri…

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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) 3.65 6.12 -6.79 2 2 0 39 230.336 2 ↓

Analogs

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Popular Name: 6-(2-fluorophenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(2-fluorophenyl)sulfanyl-5-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) 3.31 5.48 -8.88 2 2 0 39 234.299 2 ↓
Lo Low (pH 4.5-6) 3.31 5.86 -24.63 3 2 1 40 235.307 2 ↓

Analogs

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Popular Name: 6-(3-methoxyphenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(3-methoxyphenyl)sulfanyl-5-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) 3.23 4.74 -8.5 2 3 0 48 246.335 3 ↓

Analogs

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Popular Name: 6-(2-chlorophenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(2-chlorophenyl)sulfanyl-5-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) 3.83 5.89 -7.37 2 2 0 39 250.754 2 ↓

Analogs

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Popular Name: 6-(2,4-dimethylphenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(2,4-dimethylphenyl)sulfanyl-5…

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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) 4.02 6.68 -6.65 2 2 0 39 244.363 2 ↓

Analogs

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Popular Name: 6-(4-fluorophenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(4-fluorophenyl)sulfanyl-5-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) 3.36 5.51 -5.89 2 2 0 39 234.299 2 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(4-methoxyphenyl)sulfanyl-5-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) 3.25 4.74 -7.31 2 3 0 48 246.335 3 ↓
Lo Low (pH 4.5-6) 3.25 5.1 -25.32 3 3 1 49 247.343 3 ↓

Analogs

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Popular Name: 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(3,4-dimethylphenyl)sulfanyl-5…

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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) 4.02 6.67 -7.12 2 2 0 39 244.363 2 ↓

Analogs

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Popular Name: N-[4-[(5-amino-3-methyl-2-pyridyl)sulfanyl]phenyl]acetamide N-[4-[(5-amino-3-methyl-2-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 4.35 -13.24 3 4 0 68 273.361 3 ↓
Lo Low (pH 4.5-6) 2.42 4.71 -28.32 4 4 1 69 274.369 3 ↓

Analogs

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Popular Name: 6-(2,5-dimethylphenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(2,5-dimethylphenyl)sulfanyl-5…

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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) 4.02 6.68 -6.7 2 2 0 39 244.363 2 ↓

Analogs

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Popular Name: 6-(3,4-difluorophenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(3,4-difluorophenyl)sulfanyl-5…

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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) 3.45 5.56 -6.72 2 2 0 39 252.289 2 ↓

Analogs

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Popular Name: 6-(2-bromophenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(2-bromophenyl)sulfanyl-5-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.96 5.99 -7.18 2 2 0 39 295.205 2 ↓
Lo Low (pH 4.5-6) 3.96 6.37 -24.22 3 2 1 40 296.213 2 ↓

Analogs

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Popular Name: 6-(4-bromophenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(4-bromophenyl)sulfanyl-5-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 6.07 -5.49 2 2 0 39 295.205 2 ↓

Analogs

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Popular Name: 6-(2,4-difluorophenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(2,4-difluorophenyl)sulfanyl-5…

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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) 3.45 5.55 -7.07 2 2 0 39 252.289 2 ↓

Analogs

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Popular Name: 6-(2,5-difluorophenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(2,5-difluorophenyl)sulfanyl-5…

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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) 3.45 5.55 -7.42 2 2 0 39 252.289 2 ↓

Analogs

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Popular Name: 5-methyl-6-(o-tolylsulfanyl)pyridin-3-amine 5-methyl-6-(o-tolylsulfanyl)pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 6.02 -6.64 2 2 0 39 230.336 2 ↓

Analogs

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Popular Name: 5-methyl-6-(m-tolylsulfanyl)pyridin-3-amine 5-methyl-6-(m-tolylsulfanyl)pyri…

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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 6.11 -6.9 2 2 0 39 230.336 2 ↓

Analogs

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Popular Name: 6-(2-methoxyphenyl)sulfanyl-5-methyl-pyridin-3-amine 6-(2-methoxyphenyl)sulfanyl-5-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) 3.21 4.8 -8.9 2 3 0 48 246.335 3 ↓

Analogs

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Popular Name: 5-nitro-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]aniline 5-nitro-2-[[5-(trifluoromethyl)-…

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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) 3.44 6.62 -7.56 2 5 0 85 315.276 4 ↓

Analogs

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Popular Name: 5-nitro-2-(2-pyridylsulfanyl)aniline 5-nitro-2-(2-pyridylsulfanyl)ani…

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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) 2.54 5.67 -7.24 2 5 0 85 247.279 3 ↓

Analogs

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Popular Name: 2-(4-chloro-2-cyano-phenyl)sulfanylpyridine-3-carboxylic 2-(4-chloro-2-cyano-phenyl)sulfa…

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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) 3.05 8.24 -51.49 0 4 -1 77 289.723 3 ↓

Analogs

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Popular Name: 2-(4-chloro-2-cyano-phenyl)sulfanylpyridine-4-carboxylic 2-(4-chloro-2-cyano-phenyl)sulfa…

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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 8.36 -49.54 0 4 -1 77 289.723 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-chloro-2-cyano-phenyl)sulfanylpyridine-3-carboxylic 6-(4-chloro-2-cyano-phenyl)sulfa…

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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) 3.11 8.33 -48.06 0 4 -1 77 289.723 3 ↓

Analogs

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Popular Name: 2-(4-chloro-2-cyano-phenyl)sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-(4-chloro-2-cyano-phenyl)sulfa…

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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) 3.87 9.62 -57.61 0 4 -1 77 317.777 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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