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Analogs

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Popular Name: N2-(cyclobutylmethyl)-3-methyl-pyridine-2,5-diamine N2-(cyclobutylmethyl)-3-methyl-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) 1.97 4.55 -25.1 4 3 1 52 192.286 3 ↓
Mid Mid (pH 6-8) 1.97 4.2 -5.02 3 3 0 51 191.278 3 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-3-fluoro-pyridin-2-amine N-(cyclobutylmethyl)-3-fluoro-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) 2.06 5.65 -4.01 1 2 0 25 180.226 3 ↓
Lo Low (pH 4.5-6) 2.06 6.01 -30.58 2 2 1 26 181.234 3 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-pyridin-2-amine 4-(aminomethyl)-N-(cyclobutylmet…

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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) 1.32 5.29 -26.23 3 3 1 43 206.313 4 ↓
Hi High (pH 8-9.5) 1.32 4.94 -4.71 2 3 0 42 205.305 4 ↓
Mid Mid (pH 6-8) 1.32 5.33 -47.55 3 3 1 44 206.313 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-pyridin-2-amine 5-(aminomethyl)-N-(cyclobutylmet…

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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) 1.37 5.32 -45.15 3 3 1 44 206.313 4 ↓
Hi High (pH 8-9.5) 1.37 4.92 -4.44 2 3 0 42 205.305 4 ↓
Mid Mid (pH 6-8) 1.37 5.67 -101.07 4 3 2 45 207.321 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-pyridin-2-amine 3-(aminomethyl)-N-(cyclobutylmet…

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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) 1.32 5.38 -47.27 3 3 1 44 206.313 4 ↓
Hi High (pH 8-9.5) 1.32 4.96 -4.39 2 3 0 42 205.305 4 ↓
Mid Mid (pH 6-8) 1.32 5.87 -100.12 4 3 2 45 207.321 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-(cyclobutylmethyl)-N,4,6-trimethyl-pyridin-2-amine 3-(aminomethyl)-N-(cyclobutylmet…

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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) 2.14 7.2 -97.01 4 3 2 45 235.375 4 ↓
Hi High (pH 8-9.5) 2.14 6.78 -22.72 3 3 1 43 234.367 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-(cyclobutylmethyl)-N,6-dimethyl-pyridin-2-amine 3-(aminomethyl)-N-(cyclobutylmet…

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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) 1.37 6.5 -98.04 4 3 2 45 221.348 4 ↓
Hi High (pH 8-9.5) 1.37 6.11 -24.09 3 3 1 43 220.34 4 ↓
Hi High (pH 8-9.5) 1.37 5.66 -4.37 2 3 0 42 219.332 4 ↓

Analogs

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Popular Name: N2-(cyclobutylmethyl)-N2-methyl-pyridine-2,5-diamine N2-(cyclobutylmethyl)-N2-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) 1.84 5.55 -25.18 3 3 1 43 192.286 3 ↓
Mid Mid (pH 6-8) 1.84 5.2 -5.01 2 3 0 42 191.278 3 ↓

Analogs

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Popular Name: 5-bromo-N2-(cyclobutylmethyl)-N2-methyl-pyridine-2,3-diamine 5-bromo-N2-(cyclobutylmethyl)-N2…

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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 6.01 -3.97 2 3 0 42 270.174 3 ↓

Analogs

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Popular Name: 5-amino-2-[cyclobutylmethyl(methyl)amino]pyridine-3-carboxamide 5-amino-2-[cyclobutylmethyl(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) 0.58 2.5 -9.81 4 5 0 85 234.303 4 ↓
Lo Low (pH 4.5-6) 0.58 2.96 -33.46 5 5 1 86 235.311 4 ↓

Analogs

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Popular Name: N2-(cyclobutylmethyl)-N2-methyl-pyridine-2,4-diamine N2-(cyclobutylmethyl)-N2-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) 1.21 5.55 -25.58 3 3 1 43 192.286 3 ↓

Analogs

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Popular Name: N2-(cyclobutylmethyl)-N2-methyl-pyridine-2,3-diamine N2-(cyclobutylmethyl)-N2-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) 1.62 5.9 -25.94 3 3 1 43 192.286 3 ↓
Mid Mid (pH 6-8) 1.62 5.42 -4.99 2 3 0 42 191.278 3 ↓

Analogs

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Popular Name: 5-amino-2-[cyclobutylmethyl(methyl)amino]pyridine-3-carbonitrile 5-amino-2-[cyclobutylmethyl(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) 1.52 5.62 -6.37 2 4 0 66 216.288 3 ↓

Analogs

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Popular Name: N2-(cyclobutylmethyl)-6-methoxy-N2-methyl-pyridine-2,5-diamine N2-(cyclobutylmethyl)-6-methoxy-…

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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 3.92 -5.42 2 4 0 51 221.304 4 ↓
Lo Low (pH 4.5-6) 2.02 3.63 -15.43 3 4 0 53 222.312 4 ↓

Analogs

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Popular Name: N2-(cyclobutylmethyl)-6-ethoxy-N2-methyl-pyridine-2,5-diamine N2-(cyclobutylmethyl)-6-ethoxy-N…

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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) 2.39 4.98 -4.88 2 4 0 51 235.331 5 ↓
Lo Low (pH 4.5-6) 2.39 4.55 -15.5 3 4 0 53 236.339 5 ↓

Analogs

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Popular Name: N2-(cyclobutylmethyl)-6-isopropoxy-N2-methyl-pyridine-2,5-diamine N2-(cyclobutylmethyl)-6-isopropo…

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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) 2.76 5.87 -4.41 2 4 0 51 249.358 5 ↓
Lo Low (pH 4.5-6) 2.76 5.48 -15.2 3 4 0 53 250.366 5 ↓

Analogs

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Popular Name: N2-(cyclobutylmethyl)-N2-methyl-6-propoxy-pyridine-2,5-diamine N2-(cyclobutylmethyl)-N2-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) 2.90 5.78 -4.76 2 4 0 51 249.358 6 ↓
Lo Low (pH 4.5-6) 2.90 5.36 -15.37 3 4 0 53 250.366 6 ↓

Analogs

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Popular Name: N2-(cyclobutylmethyl)-6-isobutoxy-N2-methyl-pyridine-2,5-diamine N2-(cyclobutylmethyl)-6-isobutox…

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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) 3.14 6.47 -4.62 2 4 0 51 263.385 6 ↓
Lo Low (pH 4.5-6) 3.14 6.06 -15.05 3 4 0 53 264.393 6 ↓

Analogs

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Popular Name: 6-tert-butoxy-N2-(cyclobutylmethyl)-N2-methyl-pyridine-2,5-diamine 6-tert-butoxy-N2-(cyclobutylmeth…

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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 7.1 -3.71 2 4 0 51 263.385 5 ↓
Lo Low (pH 4.5-6) 3.20 7.18 -14.69 3 4 0 53 264.393 5 ↓

Analogs

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Popular Name: N2-(cyclobutylmethyl)-N2,3-dimethyl-pyridine-2,5-diamine N2-(cyclobutylmethyl)-N2,3-dimet…

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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) 2.21 6.47 -24.65 3 3 1 43 206.313 3 ↓
Mid Mid (pH 6-8) 2.21 6.07 -4.65 2 3 0 42 205.305 3 ↓

Analogs

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Popular Name: 6-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-pyridine-3-carboxamidine 6-[cyclobutylmethyl(methyl)amino…

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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) 0.50 4.17 -7.04 3 5 0 75 234.303 4 ↓
Lo Low (pH 4.5-6) 0.50 4.52 -34.16 4 5 1 76 235.311 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-pyridine-3-carboxamidine 2-[cyclobutylmethyl(methyl)amino…

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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) 0.45 4.99 -7.28 3 5 0 75 234.303 4 ↓
Lo Low (pH 4.5-6) 0.45 5.46 -34.28 4 5 1 76 235.311 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5-nitro-pyridine-3-carboxamidine 2-[cyclobutylmethyl(methyl)amino…

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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) 0.56 5.68 -5.56 3 8 0 121 279.3 5 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethyl-pyridine-3-carboxamidine 2-[cyclobutylmethyl(methyl)amino…

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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) 1.27 5.19 -29.29 4 5 1 76 263.365 4 ↓
Mid Mid (pH 6-8) 1.27 4.77 -6.45 3 5 0 75 262.357 4 ↓
Lo Low (pH 4.5-6) 1.27 5.27 -84.77 5 5 2 78 264.373 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-6-methyl-pyridine-3-carboxamidine 2-[cyclobutylmethyl(methyl)amino…

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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) 0.50 5.68 -6.86 3 5 0 75 248.33 4 ↓
Mid Mid (pH 6-8) 0.50 6.14 -30.17 4 5 1 76 249.338 4 ↓

Analogs

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Popular Name: 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboxamidine 6-[cyclobutylmethyl(methyl)amino…

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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) 0.57 5.16 -32.47 4 4 1 68 219.312 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxamidine 2-[cyclobutylmethyl(methyl)amino…

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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) 0.52 5.56 -91.18 5 4 2 69 220.32 4 ↓
Hi High (pH 8-9.5) 0.52 5.2 -35.19 4 4 1 68 219.312 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]pyridine-3-carboxamidine 2-[cyclobutylmethyl(methyl)amino…

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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) 0.52 5.07 -34.09 4 4 1 68 219.312 4 ↓
Hi High (pH 8-9.5) 0.52 6.03 -6.25 3 4 0 66 218.304 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]-4,6-dimethyl-pyridine-3-carboxamidine 2-[cyclobutylmethyl(methyl)amino…

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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) 1.34 5.86 -32.8 4 4 1 68 247.366 4 ↓
Hi High (pH 8-9.5) 1.34 5.82 -5.68 3 4 0 66 246.358 4 ↓
Mid Mid (pH 6-8) 1.34 6.29 -85.79 5 4 2 69 248.374 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]-6-methyl-pyridine-3-carboxamidine 2-[cyclobutylmethyl(methyl)amino…

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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) 0.57 5.77 -33.48 4 4 1 68 233.339 4 ↓
Hi High (pH 8-9.5) 0.57 6.73 -5.85 3 4 0 66 232.331 4 ↓
Lo Low (pH 4.5-6) 0.57 6.21 -88.38 5 4 2 69 234.347 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]pyridine-4-carbonitrile 2-[cyclobutylmethyl(methyl)amino…

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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) 1.89 7.69 -5.28 0 3 0 40 201.273 3 ↓

Analogs

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Popular Name: 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carbonitrile 6-[cyclobutylmethyl(methyl)amino…

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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 7.7 -6.18 0 3 0 40 201.273 3 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]pyridine-3-carbonitrile 2-[cyclobutylmethyl(methyl)amino…

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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) 1.89 7.76 -6.43 0 3 0 40 201.273 3 ↓

Analogs

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Popular Name: [6-[cyclobutylmethyl(methyl)amino]-2-pyridyl]methanol [6-[cyclobutylmethyl(methyl)amin…

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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 5.07 -25.92 2 3 1 38 207.297 4 ↓
Mid Mid (pH 6-8) 1.59 4.74 -6.02 1 3 0 36 206.289 4 ↓

Analogs

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Popular Name: [2-[cyclobutylmethyl(methyl)amino]-4-pyridyl]methanol [2-[cyclobutylmethyl(methyl)amin…

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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) 1.47 4.98 -27.84 2 3 1 38 207.297 4 ↓
Mid Mid (pH 6-8) 1.47 4.62 -6.63 1 3 0 36 206.289 4 ↓

Analogs

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Popular Name: [2-[cyclobutylmethyl(methyl)amino]-3-pyridyl]methanol [2-[cyclobutylmethyl(methyl)amin…

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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) 1.47 5.32 -27.83 2 3 1 38 207.297 4 ↓
Mid Mid (pH 6-8) 1.47 4.85 -5.81 1 3 0 36 206.289 4 ↓

Analogs

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Popular Name: [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridyl]methanol [3-chloro-6-[cyclobutylmethyl(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) 2.61 4.97 -6.52 1 3 0 36 240.734 4 ↓

Analogs

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Popular Name: [2-[cyclobutylmethyl(methyl)amino]-4,6-dimethyl-3-pyridyl]methanol [2-[cyclobutylmethyl(methyl)amin…

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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 6.54 -24.16 2 3 1 38 235.351 4 ↓

Analogs

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Popular Name: [6-[cyclobutylmethyl(methyl)amino]-3-pyridyl]methanol [6-[cyclobutylmethyl(methyl)amin…

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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 4.96 -27.43 2 3 1 38 207.297 4 ↓
Mid Mid (pH 6-8) 1.53 4.61 -6.62 1 3 0 36 206.289 4 ↓

Analogs

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Popular Name: [5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-pyridyl]methanol [5-chloro-6-[cyclobutylmethyl(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) 2.13 5.16 -5.74 1 3 0 36 240.734 4 ↓
Lo Low (pH 4.5-6) 2.13 5.67 -28.89 2 3 1 38 241.742 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]-4,6-dimethyl-pyridine-3-carbonitrile 2-[cyclobutylmethyl(methyl)amino…

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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) 2.71 8.92 -5.87 0 3 0 40 229.327 3 ↓

Analogs

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Popular Name: [5-bromo-2-[cyclobutylmethyl(methyl)amino]-3-pyridyl]methanol [5-bromo-2-[cyclobutylmethyl(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) 2.43 5.45 -4.96 1 3 0 36 285.185 4 ↓

Analogs

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Popular Name: 2-[cyclobutylmethyl(methyl)amino]-6-methyl-pyridine-3-carbonitrile 2-[cyclobutylmethyl(methyl)amino…

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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 8.4 -5.97 0 3 0 40 215.3 3 ↓

Analogs

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Popular Name: 6-(chloromethyl)-N-(cyclobutylmethyl)-N-methyl-pyridin-2-amine 6-(chloromethyl)-N-(cyclobutylme…

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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) 2.83 8.49 -4.98 0 2 0 16 224.735 4 ↓
Lo Low (pH 4.5-6) 2.83 8.82 -26.91 1 2 1 17 225.743 4 ↓

Analogs

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Popular Name: 4-(chloromethyl)-N-(cyclobutylmethyl)-N-methyl-pyridin-2-amine 4-(chloromethyl)-N-(cyclobutylme…

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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) 2.71 8.59 -4.91 0 2 0 16 224.735 4 ↓
Mid Mid (pH 6-8) 2.71 8.94 -28.73 1 2 1 17 225.743 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-(cyclobutylmethyl)-N-methyl-pyridin-2-amine 3-(chloromethyl)-N-(cyclobutylme…

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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) 2.71 8.79 -4.54 0 2 0 16 224.735 4 ↓
Mid Mid (pH 6-8) 2.71 9.26 -29.45 1 2 1 17 225.743 4 ↓

Analogs

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Popular Name: 5-chloro-6-(chloromethyl)-N-(cyclobutylmethyl)-N-methyl-pyridin-2-amine 5-chloro-6-(chloromethyl)-N-(cyc…

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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) 3.85 8.92 -4.22 0 2 0 16 259.18 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-(cyclobutylmethyl)-N,4,6-trimethyl-pyridin-2-amine 3-(chloromethyl)-N-(cyclobutylme…

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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) 3.53 10.4 -25 1 2 1 17 253.797 4 ↓
Hi High (pH 8-9.5) 3.53 9.93 -4.22 0 2 0 16 252.789 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methyl-pyridin-2-amine 5-(chloromethyl)-N-(cyclobutylme…

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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) 2.76 8.57 -4.91 0 2 0 16 224.735 4 ↓
Mid Mid (pH 6-8) 2.76 8.91 -28.82 1 2 1 17 225.743 4 ↓

Analogs

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Popular Name: 3-chloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-methyl-pyridin-2-amine 3-chloro-5-(chloromethyl)-N-(cyc…

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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 9.12 -4.37 0 2 0 16 259.18 4 ↓

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