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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-bromophenoxy)-N,N-dimethyl-pyridine-3-carboxamide 2-(4-bromophenoxy)-N,N-dimethyl-…

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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) 2.52 5.95 -13.42 0 4 0 42 321.174 3 ↓

Analogs

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Popular Name: 2-(3,4-difluorophenoxy)pyridine-3-carboxylic 2-(3,4-difluorophenoxy)pyridine-…

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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) 2.57 6.21 -51.12 0 4 -1 62 250.18 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 4.08 -7.62 1 6 0 88 260.249 3 ↓

Analogs

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

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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) 2.80 3.96 -8.13 1 6 0 88 246.222 3 ↓

Analogs

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

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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) 2.79 3.4 -7.49 1 6 0 88 246.222 3 ↓

Analogs

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Popular Name: 4-[(3-methyl-5-nitro-2-pyridyl)oxy]aniline 4-[(3-methyl-5-nitro-2-pyridyl)o…

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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) 2.37 4.12 -6.45 2 6 0 94 245.238 3 ↓
Lo Low (pH 4.5-6) 2.37 3.98 -50.41 3 6 1 96 246.246 3 ↓

Analogs

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Popular Name: 3-[(3-methyl-5-nitro-2-pyridyl)oxy]aniline 3-[(3-methyl-5-nitro-2-pyridyl)o…

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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 4.13 -6.57 2 6 0 94 245.238 3 ↓

Analogs

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Popular Name: 2-[(3-methyl-5-nitro-2-pyridyl)oxy]aniline 2-[(3-methyl-5-nitro-2-pyridyl)o…

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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 4.13 -6.12 2 6 0 94 245.238 3 ↓

Analogs

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Popular Name: N-methyl-4-[(3-methyl-5-nitro-2-pyridyl)oxy]aniline N-methyl-4-[(3-methyl-5-nitro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 5.04 -6.36 1 6 0 80 259.265 4 ↓
Lo Low (pH 4.5-6) 3.15 5.61 -44.36 2 6 1 85 260.273 4 ↓

Analogs

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Popular Name: 3-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 3-[(3-methyl-5-nitro-2-pyridyl)o…

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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) 3.18 6.82 -49.49 0 7 -1 108 273.224 4 ↓

Analogs

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Popular Name: 2-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 2-[(3-methyl-5-nitro-2-pyridyl)o…

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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 -51.99 0 7 -1 108 273.224 4 ↓

Analogs

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Popular Name: 2-[4-[(3-methyl-5-nitro-2-pyridyl)oxy]phenyl]acetic 2-[4-[(3-methyl-5-nitro-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) 2.72 7.59 -45.42 0 7 -1 108 287.251 5 ↓

Analogs

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Popular Name: 3-methyl-2-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 3-methyl-2-[(3-methyl-5-nitro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 7.82 -52.4 0 7 -1 108 287.251 4 ↓

Analogs

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Popular Name: 4-chloro-2-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 4-chloro-2-[(3-methyl-5-nitro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 7.74 -45.85 0 7 -1 108 307.669 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 4-methyl-2-[(3-methyl-5-nitro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 7.87 -50.94 0 7 -1 108 287.251 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 5-chloro-2-[(3-methyl-5-nitro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 7.73 -47.98 0 7 -1 108 307.669 4 ↓

Analogs

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Popular Name: 3-chloro-4-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 3-chloro-4-[(3-methyl-5-nitro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 7.25 -45.06 0 7 -1 108 307.669 4 ↓

Analogs

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Popular Name: 5-methyl-2-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 5-methyl-2-[(3-methyl-5-nitro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 7.88 -51.36 0 7 -1 108 287.251 4 ↓

Analogs

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Popular Name: 4-methyl-3-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 4-methyl-3-[(3-methyl-5-nitro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 7.43 -50.73 0 7 -1 108 287.251 4 ↓

Analogs

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Popular Name: 2-[3-[(3-methyl-5-nitro-2-pyridyl)oxy]phenyl]acetic 2-[3-[(3-methyl-5-nitro-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) 2.70 7.59 -46.55 0 7 -1 108 287.251 5 ↓

Analogs

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Popular Name: 4-bromo-2-[(3-methyl-5-nitro-2-pyridyl)oxy]benzoic 4-bromo-2-[(3-methyl-5-nitro-2-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) 4.03 7.84 -45.74 0 7 -1 108 352.12 4 ↓

Analogs

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Popular Name: 6-(2,6-dimethoxyphenoxy)-5-methyl-pyridin-3-amine 6-(2,6-dimethoxyphenoxy)-5-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 3 -12.88 2 5 0 67 260.293 4 ↓

Analogs

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Popular Name: 5-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine 5-methyl-6-[2-(trifluoromethyl)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) 3.67 4.55 -8.94 2 3 0 48 268.238 3 ↓

Analogs

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

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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 3.49 -7.52 2 3 0 48 236.221 2 ↓

Analogs

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Popular Name: 6-(2-tert-butyl-4-methoxy-phenoxy)-5-methyl-pyridin-3-amine 6-(2-tert-butyl-4-methoxy-phenox…

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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) 4.51 4.94 -6.91 2 4 0 57 286.375 4 ↓

Analogs

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Popular Name: 6-(4-chloro-2,6-dimethyl-phenoxy)-5-methyl-pyridin-3-amine 6-(4-chloro-2,6-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) 4.25 5.08 -5.88 2 3 0 48 262.74 2 ↓

Analogs

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Popular Name: 6-(2-bromo-4-fluoro-phenoxy)-5-methyl-pyridin-3-amine 6-(2-bromo-4-fluoro-phenoxy)-5-m…

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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) 3.72 4.04 -6.08 2 3 0 48 297.127 2 ↓

Analogs

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Popular Name: 6-(2-tert-butylphenoxy)-5-methyl-pyridin-3-amine 6-(2-tert-butylphenoxy)-5-methyl…

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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) 4.48 5.66 -6.23 2 3 0 48 256.349 3 ↓

Analogs

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Popular Name: 4-[(5-amino-3-methyl-2-pyridyl)oxy]-3-methoxy-benzonitrile 4-[(5-amino-3-methyl-2-pyridyl)o…

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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 3.63 -9.4 2 5 0 81 255.277 3 ↓

Analogs

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Popular Name: 2-[4-[(5-amino-3-methyl-2-pyridyl)oxy]phenyl]acetonitrile 2-[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) 2.79 4.61 -12.76 2 4 0 72 239.278 3 ↓

Analogs

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Popular Name: 6-(2-ethoxyphenoxy)-5-methyl-pyridin-3-amine 6-(2-ethoxyphenoxy)-5-methyl-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) 3.01 4.13 -9.84 2 4 0 57 244.294 4 ↓

Analogs

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Popular Name: 6-(3-methoxyphenoxy)-5-methyl-pyridin-3-amine 6-(3-methoxyphenoxy)-5-methyl-py…

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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 2.73 -8.93 2 4 0 57 230.267 3 ↓

Analogs

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Popular Name: 6-(4-isopropyl-3-methyl-phenoxy)-5-methyl-pyridin-3-amine 6-(4-isopropyl-3-methyl-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) 4.24 5.89 -7.27 2 3 0 48 256.349 3 ↓

Analogs

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Popular Name: 6-(2-fluorophenoxy)-5-methyl-pyridin-3-amine 6-(2-fluorophenoxy)-5-methyl-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) 2.94 3.42 -9.73 2 3 0 48 218.231 2 ↓

Analogs

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Popular Name: 6-(2-chlorophenoxy)-5-methyl-pyridin-3-amine 6-(2-chlorophenoxy)-5-methyl-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) 3.45 3.88 -7.79 2 3 0 48 234.686 2 ↓

Analogs

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

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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 4.73 -7.38 2 3 0 48 228.295 2 ↓

Analogs

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Popular Name: 5-methyl-6-(2-methylphenoxy)pyridin-3-amine 5-methyl-6-(2-methylphenoxy)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) 3.22 4.05 -7.22 2 3 0 48 214.268 2 ↓

Analogs

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Popular Name: 6-(4-fluorophenoxy)-5-methyl-pyridin-3-amine 6-(4-fluorophenoxy)-5-methyl-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) 2.98 3.5 -6.16 2 3 0 48 218.231 2 ↓

Analogs

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Popular Name: 5-Methyl-6-phenoxypyridin-3-amine 5-Methyl-6-phenoxypyridin-3-amine

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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) 2.82 3.43 -7.45 2 3 0 48 200.241 2 ↓

Analogs

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Popular Name: 4-[(5-amino-3-methyl-2-pyridyl)oxy]benzonitrile 4-[(5-amino-3-methyl-2-pyridyl)o…

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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) 2.58 3.83 -7.64 2 4 0 72 225.251 2 ↓

Analogs

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Popular Name: 6-(3-chlorophenoxy)-5-methyl-pyridin-3-amine 6-(3-chlorophenoxy)-5-methyl-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) 3.48 3.95 -6.56 2 3 0 48 234.686 2 ↓

Analogs

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Popular Name: 6-(2-methoxyphenoxy)-5-methyl-pyridin-3-amine 6-(2-methoxyphenoxy)-5-methyl-py…

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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 3.21 -9.94 2 4 0 57 230.267 3 ↓

Analogs

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Popular Name: 6-(3-fluorophenoxy)-5-methyl-pyridin-3-amine 6-(3-fluorophenoxy)-5-methyl-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) 2.96 3.5 -7.11 2 3 0 48 218.231 2 ↓

Analogs

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Popular Name: 6-(2-isopropylphenoxy)-5-methyl-pyridin-3-amine 6-(2-isopropylphenoxy)-5-methyl-…

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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 5.24 -7.07 2 3 0 48 242.322 3 ↓

Analogs

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Popular Name: 5-methyl-6-[2-[(1R)-1-methylpropyl]phenoxy]pyridin-3-amine 5-methyl-6-[2-[(1R)-1-methylprop…

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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 5.9 -6.92 2 3 0 48 256.349 4 ↓

Analogs

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Popular Name: 5-methyl-6-[2-[(1S)-1-methylpropyl]phenoxy]pyridin-3-amine 5-methyl-6-[2-[(1S)-1-methylprop…

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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 5.89 -6.97 2 3 0 48 256.349 4 ↓

Analogs

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Popular Name: 6-(2-bromo-4-chloro-phenoxy)-5-methyl-pyridin-3-amine 6-(2-bromo-4-chloro-phenoxy)-5-m…

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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 4.49 -5.83 2 3 0 48 313.582 2 ↓

Analogs

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Popular Name: N-[2-[(5-amino-3-methyl-2-pyridyl)oxy]phenyl]acetamide N-[2-[(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) 1.99 2.34 -11.38 3 5 0 77 257.293 3 ↓

Analogs

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Popular Name: 6-(2-methoxy-4-methyl-phenoxy)-5-methyl-pyridin-3-amine 6-(2-methoxy-4-methyl-phenoxy)-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) 3.06 3.88 -9.83 2 4 0 57 244.294 3 ↓

Analogs

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Popular Name: 2-[(5-amino-3-methyl-2-pyridyl)oxy]benzonitrile 2-[(5-amino-3-methyl-2-pyridyl)o…

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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 3.74 -10.8 2 4 0 72 225.251 2 ↓

Parameters Provided:

ring.id = 13217
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 = 13217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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