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Analogs

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Popular Name: 3-methyl-N2-[(1S)-1-(4-pyridyl)ethyl]pyridine-2,5-diamine 3-methyl-N2-[(1S)-1-(4-pyridyl)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) 1.59 4.56 -30.92 4 4 1 65 229.307 3 ↓
Mid Mid (pH 6-8) 1.59 4.22 -6.74 3 4 0 64 228.299 3 ↓
Lo Low (pH 4.5-6) 1.59 5.02 -79.07 5 4 2 66 230.315 3 ↓

Analogs

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Popular Name: 3-methyl-N2-[(1R)-1-(4-pyridyl)ethyl]pyridine-2,5-diamine 3-methyl-N2-[(1R)-1-(4-pyridyl)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) 1.59 4.56 -31.02 4 4 1 65 229.307 3 ↓
Mid Mid (pH 6-8) 1.59 4.21 -6.7 3 4 0 64 228.299 3 ↓
Lo Low (pH 4.5-6) 1.59 5.02 -79.02 5 4 2 66 230.315 3 ↓

Analogs

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Popular Name: N2,3-dimethyl-N2-(4-pyridylmethyl)pyridine-2,5-diamine N2,3-dimethyl-N2-(4-pyridylmethy…

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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) 1.28 5.69 -28.67 3 4 1 56 229.307 3 ↓
Mid Mid (pH 6-8) 1.28 5.25 -7.76 2 4 0 55 228.299 3 ↓
Lo Low (pH 4.5-6) 1.28 6.15 -79.99 4 4 2 58 230.315 3 ↓

Analogs

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Popular Name: N2-ethyl-3-methyl-N2-(4-pyridylmethyl)pyridine-2,5-diamine N2-ethyl-3-methyl-N2-(4-pyridylm…

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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) 1.66 6.37 -30.18 3 4 1 56 243.334 4 ↓
Mid Mid (pH 6-8) 1.66 5.89 -6.33 2 4 0 55 242.326 4 ↓
Lo Low (pH 4.5-6) 1.66 6.83 -77.86 4 4 2 58 244.342 4 ↓

Analogs

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Popular Name: methyl 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) 1.35 6.48 -8.32 1 5 0 64 257.293 5 ↓
Lo Low (pH 4.5-6) 1.35 6.94 -35.07 2 5 1 65 258.301 5 ↓

Analogs

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Popular Name: methyl 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) 1.35 6.48 -8.37 1 5 0 64 257.293 5 ↓
Lo Low (pH 4.5-6) 1.35 6.94 -35.07 2 5 1 65 258.301 5 ↓

Analogs

36226374
36226374

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Popular Name: 5-methyl-N-(4-pyridylmethyl)pyridin-2-amine 5-methyl-N-(4-pyridylmethyl)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) 1.46 5.54 -33.88 2 3 1 39 200.265 3 ↓
Mid Mid (pH 6-8) 1.46 5.07 -6.27 1 3 0 38 199.257 3 ↓
Lo Low (pH 4.5-6) 1.46 5.98 -83.85 3 3 2 40 201.273 3 ↓

Analogs

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Popular Name: 6-tert-butoxy-N2-(4-pyridylmethyl)pyridine-2,5-diamine 6-tert-butoxy-N2-(4-pyridylmethy…

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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) 2.02 4.45 -6.45 3 5 0 73 272.352 5 ↓
Lo Low (pH 4.5-6) 2.02 4.9 -37.43 4 5 1 74 273.36 5 ↓

Analogs

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Popular Name: 6-isobutoxy-N2-(4-pyridylmethyl)pyridine-2,5-diamine 6-isobutoxy-N2-(4-pyridylmethyl)…

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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) 1.96 3.33 -7.18 3 5 0 73 272.352 6 ↓
Lo Low (pH 4.5-6) 1.96 3.78 -37.56 4 5 1 74 273.36 6 ↓

Analogs

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Popular Name: 6-propoxy-N2-(4-pyridylmethyl)pyridine-2,5-diamine 6-propoxy-N2-(4-pyridylmethyl)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) 1.72 2.64 -7.37 3 5 0 73 258.325 6 ↓
Lo Low (pH 4.5-6) 1.72 3.09 -37.83 4 5 1 74 259.333 6 ↓

Analogs

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Popular Name: 6-isopropoxy-N2-(4-pyridylmethyl)pyridine-2,5-diamine 6-isopropoxy-N2-(4-pyridylmethyl…

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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) 1.58 2.75 -7.26 3 5 0 73 258.325 5 ↓

Analogs

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Popular Name: 6-ethoxy-N2-(4-pyridylmethyl)pyridine-2,5-diamine 6-ethoxy-N2-(4-pyridylmethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.22 1.84 -7.53 3 5 0 73 244.298 5 ↓
Lo Low (pH 4.5-6) 1.22 2.3 -37.99 4 5 1 74 245.306 5 ↓

Analogs

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Popular Name: 6-methoxy-N2-(4-pyridylmethyl)pyridine-2,5-diamine 6-methoxy-N2-(4-pyridylmethyl)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) 0.84 0.9 -7.69 3 5 0 73 230.271 4 ↓
Lo Low (pH 4.5-6) 0.84 1.36 -38.19 4 5 1 74 231.279 4 ↓

Analogs

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Popular Name: N-[(2-methoxy-4-pyridyl)methyl]-5-nitro-pyridin-2-amine N-[(2-methoxy-4-pyridyl)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) 1.53 3.54 -11.11 1 7 0 93 260.253 5 ↓

Analogs

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Popular Name: N-[(2-methoxy-4-pyridyl)methyl]-3-nitro-pyridin-2-amine N-[(2-methoxy-4-pyridyl)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) 1.31 4.05 -10.73 1 7 0 93 260.253 5 ↓

Analogs

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Popular Name: 3-fluoro-N-(4-pyridylmethyl)pyridin-2-amine 3-fluoro-N-(4-pyridylmethyl)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) 1.12 4.81 -6.12 1 3 0 38 203.22 3 ↓
Lo Low (pH 4.5-6) 1.12 5.27 -35.32 2 3 1 39 204.228 3 ↓

Analogs

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Popular Name: 3-fluoro-N-[(1S)-1-(4-pyridyl)ethyl]pyridin-2-amine 3-fluoro-N-[(1S)-1-(4-pyridyl)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) 1.68 5.67 -6.2 1 3 0 38 217.247 3 ↓
Lo Low (pH 4.5-6) 1.68 6.13 -35.56 2 3 1 39 218.255 3 ↓

Analogs

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Popular Name: 3-fluoro-N-[(1R)-1-(4-pyridyl)ethyl]pyridin-2-amine 3-fluoro-N-[(1R)-1-(4-pyridyl)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) 1.68 5.67 -6.2 1 3 0 38 217.247 3 ↓
Lo Low (pH 4.5-6) 1.68 6.12 -35.51 2 3 1 39 218.255 3 ↓

Analogs

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Popular Name: 6-bromo-N-ethyl-N-(4-pyridylmethyl)pyridin-2-amine 6-bromo-N-ethyl-N-(4-pyridylmeth…

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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) 2.78 8.09 -7 0 3 0 29 292.18 4 ↓
Lo Low (pH 4.5-6) 2.78 8.55 -33.25 1 3 1 30 293.188 4 ↓

Analogs

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Popular Name: 6-bromo-N-[(2-methoxy-4-pyridyl)methyl]pyridin-2-amine 6-bromo-N-[(2-methoxy-4-pyridyl)…

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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) 2.55 3.4 -8.53 1 4 0 47 294.152 4 ↓

Analogs

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Popular Name: 5-nitro-2-(4-pyridylmethylamino)pyridine-3-carbonitrile 5-nitro-2-(4-pyridylmethylamino)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.82 5.82 -8.95 1 7 0 107 255.237 4 ↓
Lo Low (pH 4.5-6) 0.82 6.28 -42.28 2 7 1 109 256.245 4 ↓

Analogs

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Popular Name: 5-nitro-2-[[(1S)-1-(4-pyridyl)ethyl]amino]pyridine-3-carbonitrile 5-nitro-2-[[(1S)-1-(4-pyridyl)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) 1.38 6.66 -8.59 1 7 0 107 269.264 4 ↓
Lo Low (pH 4.5-6) 1.38 7.12 -41.94 2 7 1 109 270.272 4 ↓

Analogs

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Popular Name: 5-nitro-2-[[(1R)-1-(4-pyridyl)ethyl]amino]pyridine-3-carbonitrile 5-nitro-2-[[(1R)-1-(4-pyridyl)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) 1.38 6.66 -8.6 1 7 0 107 269.264 4 ↓
Lo Low (pH 4.5-6) 1.38 7.12 -41.91 2 7 1 109 270.272 4 ↓

Analogs

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Popular Name: 6-chloro-3-nitro-N-(4-pyridylmethyl)pyridin-2-amine 6-chloro-3-nitro-N-(4-pyridylmet…

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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) 1.94 6.06 -7.01 1 6 0 84 264.672 4 ↓
Lo Low (pH 4.5-6) 1.94 6.52 -36.65 2 6 1 85 265.68 4 ↓

Analogs

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Popular Name: 5-amino-2-(4-pyridylmethylamino)pyridine-3-carboxamide 5-amino-2-(4-pyridylmethylamino)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.59 -0.25 -11.27 5 6 0 107 243.27 4 ↓
Lo Low (pH 4.5-6) -0.59 0.21 -35.9 6 6 1 108 244.278 4 ↓

Analogs

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Popular Name: 5-amino-2-[[(1S)-1-(4-pyridyl)ethyl]amino]pyridine-3-carboxamide 5-amino-2-[[(1S)-1-(4-pyridyl)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) -0.04 0.61 -10.88 5 6 0 107 257.297 4 ↓
Lo Low (pH 4.5-6) -0.04 1.07 -35.84 6 6 1 108 258.305 4 ↓

Analogs

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Popular Name: 5-amino-2-[[(1R)-1-(4-pyridyl)ethyl]amino]pyridine-3-carboxamide 5-amino-2-[[(1R)-1-(4-pyridyl)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) -0.04 0.61 -10.93 5 6 0 107 257.297 4 ↓
Lo Low (pH 4.5-6) -0.04 1.07 -35.74 6 6 1 108 258.305 4 ↓

Analogs

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Popular Name: 5-amino-2-[methyl(4-pyridylmethyl)amino]pyridine-3-carboxamide 5-amino-2-[methyl(4-pyridylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.35 1.72 -11.5 4 6 0 98 257.297 4 ↓
Lo Low (pH 4.5-6) -0.35 2.18 -34.87 5 6 1 99 258.305 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 22523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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