UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N2-[(1S)-1-cyclopropylethyl]-3-methyl-pyridine-2,5-diamine N2-[(1S)-1-cyclopropylethyl]-3-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) 2.12 4.76 -24.35 4 3 1 52 192.286 3 ↓
Mid Mid (pH 6-8) 2.12 4.42 -4.82 3 3 0 51 191.278 3 ↓

Analogs

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Popular Name: N2-[(1R)-1-cyclopropylethyl]-3-methyl-pyridine-2,5-diamine N2-[(1R)-1-cyclopropylethyl]-3-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) 2.12 4.76 -24.35 4 3 1 52 192.286 3 ↓
Mid Mid (pH 6-8) 2.12 4.42 -4.8 3 3 0 51 191.278 3 ↓

Analogs

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Popular Name: N2-[(1S)-1-cyclopropylethyl]-N2,3-dimethyl-pyridine-2,5-diamine N2-[(1S)-1-cyclopropylethyl]-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) 2.37 6.21 -24.42 3 3 1 43 206.313 3 ↓
Mid Mid (pH 6-8) 2.37 5.72 -5.25 2 3 0 42 205.305 3 ↓

Analogs

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Popular Name: N2-[(1R)-1-cyclopropylethyl]-N2,3-dimethyl-pyridine-2,5-diamine N2-[(1R)-1-cyclopropylethyl]-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) 2.37 6.21 -24.69 3 3 1 43 206.313 3 ↓
Mid Mid (pH 6-8) 2.37 5.74 -5.04 2 3 0 42 205.305 3 ↓

Analogs

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Popular Name: N2-(cyclopropylmethyl)-3-methyl-N2-propyl-pyridine-2,5-diamine N2-(cyclopropylmethyl)-3-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) 2.92 7.46 -24.92 3 3 1 43 220.34 5 ↓
Mid Mid (pH 6-8) 2.92 6.96 -5.02 2 3 0 42 219.332 5 ↓

Analogs

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Popular Name: N2-(cyclopropylmethyl)-N2,3-dimethyl-pyridine-2,5-diamine N2-(cyclopropylmethyl)-N2,3-dime…

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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) 2.04 6.04 -24.31 3 3 1 43 192.286 3 ↓
Mid Mid (pH 6-8) 2.04 5.59 -5.12 2 3 0 42 191.278 3 ↓

Analogs

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Popular Name: N2-(cyclopropylmethyl)-N2-isopropyl-3-methyl-pyridine-2,5-diamine N2-(cyclopropylmethyl)-N2-isopro…

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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 7.09 -24.2 3 3 1 43 220.34 4 ↓
Mid Mid (pH 6-8) 2.71 6.65 -4.69 2 3 0 42 219.332 4 ↓
Mid Mid (pH 6-8) 2.71 6.26 -25.4 3 3 1 43 220.34 4 ↓

Analogs

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Popular Name: N2-[(1S)-1-cyclopropylethyl]-N2-(2-methoxyethyl)-3-methyl-pyridine-2,5-diamine N2-[(1S)-1-cyclopropylethyl]-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) 2.36 5.93 -25.04 3 4 1 53 250.366 6 ↓
Mid Mid (pH 6-8) 2.36 5.48 -5.13 2 4 0 51 249.358 6 ↓

Analogs

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Popular Name: N2-[(1R)-1-cyclopropylethyl]-N2-(2-methoxyethyl)-3-methyl-pyridine-2,5-diamine N2-[(1R)-1-cyclopropylethyl]-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) 2.36 5.81 -24.67 3 4 1 53 250.366 6 ↓
Mid Mid (pH 6-8) 2.36 5.38 -5.25 2 4 0 51 249.358 6 ↓

Analogs

52291868
52291868
52291871
52291871
52291874
52291874
52291877
52291877

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Popular Name: N-(cyclopropylmethyl)-5-methyl-pyridin-2-amine N-(cyclopropylmethyl)-5-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) 2.22 5.97 -28.08 2 2 1 26 163.244 3 ↓
Mid Mid (pH 6-8) 2.22 5.5 -4.25 1 2 0 25 162.236 3 ↓

Analogs

44509232
44509232

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Popular Name: (5-Bromo-pyridin-2-yl)-cyclopropylmethyl-amine (5-Bromo-pyridin-2-yl)-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.45 -3.28 1 2 0 25 227.105 3 ↓

Analogs

44656974
44656974

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Popular Name: 6-tert-butoxy-N2-(cyclopropylmethyl)pyridine-2,5-diamine 6-tert-butoxy-N2-(cyclopropylmet…

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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 4.78 -3.91 3 4 0 60 235.331 5 ↓

Analogs

44656961
44656961

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Popular Name: N2-(cyclopropylmethyl)-6-isobutoxy-pyridine-2,5-diamine N2-(cyclopropylmethyl)-6-isobuto…

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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 3.66 -4.62 3 4 0 60 235.331 6 ↓

Analogs

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Popular Name: N2-(cyclopropylmethyl)-6-propoxy-pyridine-2,5-diamine N2-(cyclopropylmethyl)-6-propoxy…

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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) 2.48 2.98 -4.75 3 4 0 60 221.304 6 ↓

Analogs

44656974
44656974

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Popular Name: N2-(cyclopropylmethyl)-6-isopropoxy-pyridine-2,5-diamine N2-(cyclopropylmethyl)-6-isoprop…

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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) 2.34 3.09 -4.66 3 4 0 60 221.304 5 ↓

Analogs

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Popular Name: N2-(cyclopropylmethyl)-6-ethoxy-pyridine-2,5-diamine N2-(cyclopropylmethyl)-6-ethoxy-…

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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) 1.98 2.17 -4.9 3 4 0 60 207.277 5 ↓

Analogs

44656924
44656924
52273879
52273879
52273881
52273881
52273883
52273883
52273885
52273885

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Popular Name: N2-(cyclopropylmethyl)-6-methoxy-pyridine-2,5-diamine N2-(cyclopropylmethyl)-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) 1.60 1.22 -5.07 3 4 0 60 193.25 4 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-3-fluoro-pyridin-2-amine N-(cyclopropylmethyl)-3-fluoro-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) 1.88 5.15 -4.24 1 2 0 25 166.199 3 ↓
Lo Low (pH 4.5-6) 1.88 5.51 -30.47 2 2 1 26 167.207 3 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-3-fluoro-pyridin-2-amine N-[(1S)-1-cyclopropylethyl]-3-fl…

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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 5.75 -3.94 1 2 0 25 180.226 3 ↓
Lo Low (pH 4.5-6) 2.21 6.1 -29.76 2 2 1 26 181.234 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-3-fluoro-pyridin-2-amine N-[(1R)-1-cyclopropylethyl]-3-fl…

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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 5.87 -4.03 1 2 0 25 180.226 3 ↓
Lo Low (pH 4.5-6) 2.21 6.21 -29.77 2 2 1 26 181.234 3 ↓

Analogs

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Popular Name: 2-[methyl-[[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyridine-3-carboxylic 2-[methyl-[[(1S,2R)-2-methylcycl…

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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 8.87 -44.74 1 4 0 58 220.272 4 ↓
Mid Mid (pH 6-8) 2.14 8.41 -48.28 0 4 -1 56 219.264 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]pyridine-3-carboxylic 2-[methyl-[[(1S,2S)-2-methylcycl…

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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 8.94 -44.66 1 4 0 58 220.272 4 ↓
Mid Mid (pH 6-8) 2.14 8.48 -48.14 0 4 -1 56 219.264 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]pyridine-3-carboxylic 2-[methyl-[[(1R,2R)-2-methylcycl…

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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 8.96 -44.78 1 4 0 58 220.272 4 ↓
Mid Mid (pH 6-8) 2.14 8.48 -48.3 0 4 -1 56 219.264 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(1R,2S)-2-methylcyclopropyl]methyl]amino]pyridine-3-carboxylic 2-[methyl-[[(1R,2S)-2-methylcycl…

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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 8.89 -44.81 1 4 0 58 220.272 4 ↓
Mid Mid (pH 6-8) 2.14 8.41 -48.26 0 4 -1 56 219.264 4 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-6-fluoro-pyridin-2-amine N-(cyclopropylmethyl)-N-ethyl-6-…

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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) 2.89 7.71 -5.97 0 2 0 16 194.253 4 ↓
Lo Low (pH 4.5-6) 2.89 8.1 -25.13 1 2 1 17 195.261 4 ↓

Analogs

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Popular Name: 6-chloro-N-(cyclopropylmethyl)-N-ethyl-pyridin-2-amine 6-chloro-N-(cyclopropylmethyl)-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) 3.41 8.19 -4.96 0 2 0 16 210.708 4 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-6-(methylaminomethyl)pyridin-2-amine N-(cyclopropylmethyl)-N-ethyl-6-…

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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 7.6 -35.94 2 3 1 33 220.34 6 ↓
Hi High (pH 8-9.5) 2.02 6.15 -4.83 1 3 0 28 219.332 6 ↓
Mid Mid (pH 6-8) 2.02 6.49 -23.36 2 3 1 29 220.34 6 ↓

Analogs

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Popular Name: 6-(aminomethyl)-5-chloro-N-(cyclopropylmethyl)-N-ethyl-pyridin-2-amine 6-(aminomethyl)-5-chloro-N-(cycl…

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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) 2.66 6.13 -37.46 3 3 1 44 240.758 5 ↓
Hi High (pH 8-9.5) 2.66 5.73 -3.87 2 3 0 42 239.75 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine N-(cyclopropylmethyl)-N-ethyl-4-…

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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) 1.90 6.59 -25.79 2 3 1 29 220.34 6 ↓
Hi High (pH 8-9.5) 1.90 6.23 -4.02 1 3 0 28 219.332 6 ↓
Mid Mid (pH 6-8) 1.90 7.67 -42.08 2 3 1 33 220.34 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-(methylaminomethyl)pyridin-2-amine N-(cyclopropylmethyl)-N-ethyl-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) 1.95 7.65 -39.7 2 3 1 33 220.34 6 ↓
Hi High (pH 8-9.5) 1.95 6.2 -4.14 1 3 0 28 219.332 6 ↓
Mid Mid (pH 6-8) 1.95 8.01 -95.86 3 3 2 34 221.348 6 ↓

Analogs

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Popular Name: 5-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethyl-pyridin-2-amine 5-(aminomethyl)-3-chloro-N-(cycl…

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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) 2.18 6.22 -49.55 3 3 1 44 240.758 5 ↓
Hi High (pH 8-9.5) 2.18 5.81 -3.75 2 3 0 42 239.75 5 ↓

Analogs

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Popular Name: 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethyl-pyridin-2-amine 3-(aminomethyl)-5-bromo-N-(cyclo…

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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) 2.48 6.26 -49.19 3 3 1 44 285.209 5 ↓
Hi High (pH 8-9.5) 2.48 6.08 -3.18 2 3 0 42 284.201 5 ↓

Analogs

42376995
42376995

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Popular Name: 5-bromo-N-(cyclopropylmethyl)-N-ethyl-pyridin-2-amine 5-bromo-N-(cyclopropylmethyl)-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) 3.37 8.37 -3.38 0 2 0 16 255.159 4 ↓

Analogs

42376295
42376295

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Popular Name: 3-bromo-N-(cyclopropylmethyl)-N-ethyl-pyridin-2-amine 3-bromo-N-(cyclopropylmethyl)-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) 3.15 8.34 -3.92 0 2 0 16 255.159 4 ↓
Lo Low (pH 4.5-6) 3.15 8.09 -24.1 1 2 1 17 256.167 4 ↓

Analogs

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Popular Name: 3-(ethylaminomethyl)-N-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]pyridin-2-amine 3-(ethylaminomethyl)-N-methyl-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) 2.51 8.26 -40.47 2 3 1 33 234.367 6 ↓
Mid Mid (pH 6-8) 2.51 8.73 -94.12 3 3 2 34 235.375 6 ↓

Analogs

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Popular Name: 3-(ethylaminomethyl)-N-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]pyridin-2-amine 3-(ethylaminomethyl)-N-methyl-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) 2.51 8.33 -40.3 2 3 1 33 234.367 6 ↓
Mid Mid (pH 6-8) 2.51 8.79 -94.43 3 3 2 34 235.375 6 ↓

Analogs

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Popular Name: N-methyl-3-(methylaminomethyl)-N-[[(1S,2R)-2-methylcyclopropyl]methyl]pyridin-2-amine N-methyl-3-(methylaminomethyl)-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) 2.13 7.4 -42.29 2 3 1 33 220.34 5 ↓
Hi High (pH 8-9.5) 2.13 5.94 -4.1 1 3 0 28 219.332 5 ↓
Mid Mid (pH 6-8) 2.13 7.87 -94.34 3 3 2 34 221.348 5 ↓

Analogs

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Popular Name: N-methyl-3-(methylaminomethyl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]pyridin-2-amine N-methyl-3-(methylaminomethyl)-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) 2.13 7.47 -41.99 2 3 1 33 220.34 5 ↓
Hi High (pH 8-9.5) 2.13 6.01 -4.03 1 3 0 28 219.332 5 ↓
Mid Mid (pH 6-8) 2.13 7.94 -94.1 3 3 2 34 221.348 5 ↓

Analogs

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Popular Name: N-methyl-3-(methylaminomethyl)-N-[[(1R,2R)-2-methylcyclopropyl]methyl]pyridin-2-amine N-methyl-3-(methylaminomethyl)-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) 2.13 7.47 -42.05 2 3 1 33 220.34 5 ↓
Hi High (pH 8-9.5) 2.13 6 -4.14 1 3 0 28 219.332 5 ↓
Mid Mid (pH 6-8) 2.13 7.96 -94.71 3 3 2 34 221.348 5 ↓

Analogs

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Popular Name: N-methyl-3-(methylaminomethyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]pyridin-2-amine N-methyl-3-(methylaminomethyl)-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) 2.13 7.41 -42.59 2 3 1 33 220.34 5 ↓
Hi High (pH 8-9.5) 2.13 5.94 -4.24 1 3 0 28 219.332 5 ↓
Mid Mid (pH 6-8) 2.13 7.9 -94.91 3 3 2 34 221.348 5 ↓

Analogs

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Popular Name: 3-[(isobutylamino)methyl]-N-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]pyridin-2-amine 3-[(isobutylamino)methyl]-N-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) 3.25 9.7 -41.63 2 3 1 33 262.421 7 ↓
Mid Mid (pH 6-8) 3.25 10.18 -96.71 3 3 2 34 263.429 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(isobutylamino)methyl]-N-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]pyridin-2-amine 3-[(isobutylamino)methyl]-N-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) 3.25 9.77 -41.24 2 3 1 33 262.421 7 ↓
Mid Mid (pH 6-8) 3.25 10.25 -96.51 3 3 2 34 263.429 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(isobutylamino)methyl]-N-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]pyridin-2-amine 3-[(isobutylamino)methyl]-N-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) 3.25 9.77 -41.35 2 3 1 33 262.421 7 ↓
Mid Mid (pH 6-8) 3.25 10.28 -97.04 3 3 2 34 263.429 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(isobutylamino)methyl]-N-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]pyridin-2-amine 3-[(isobutylamino)methyl]-N-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) 3.25 9.71 -41.83 2 3 1 33 262.421 7 ↓
Mid Mid (pH 6-8) 3.25 10.22 -97.26 3 3 2 34 263.429 7 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-pyridin-2-amine 3-(aminomethyl)-N-(cyclopropylme…

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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) 2.34 7.42 -96.39 4 3 2 45 235.375 5 ↓
Hi High (pH 8-9.5) 2.34 6.97 -48.21 3 3 1 44 234.367 5 ↓
Hi High (pH 8-9.5) 2.34 7 -22.77 3 3 1 43 234.367 5 ↓

Analogs

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Popular Name: N2-(cyclopropylmethyl)-6-ethoxy-N2-ethyl-pyridine-2,5-diamine N2-(cyclopropylmethyl)-6-ethoxy-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 5.31 -5.12 2 4 0 51 235.331 6 ↓
Lo Low (pH 4.5-6) 2.60 4.73 -15.67 3 4 0 53 236.339 6 ↓

Analogs

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Popular Name: N2-(cyclopropylmethyl)-N2-ethyl-6-isopropoxy-pyridine-2,5-diamine N2-(cyclopropylmethyl)-N2-ethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 6.22 -4.79 2 4 0 51 249.358 6 ↓
Lo Low (pH 4.5-6) 2.96 5.67 -15.37 3 4 0 53 250.366 6 ↓

Analogs

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Popular Name: 5-amino-2-[cyclopropylmethyl(ethyl)amino]pyridine-3-carboxamide 5-amino-2-[cyclopropylmethyl(eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 2.65 -8.91 4 5 0 85 234.303 5 ↓
Lo Low (pH 4.5-6) 0.79 3.12 -32.87 5 5 1 86 235.311 5 ↓

Analogs

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Popular Name: N2-(cyclopropylmethyl)-N2-ethyl-6-propoxy-pyridine-2,5-diamine N2-(cyclopropylmethyl)-N2-ethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 6.16 -4.71 2 4 0 51 249.358 7 ↓
Lo Low (pH 4.5-6) 3.10 5.56 -15.54 3 4 0 53 250.366 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-(cyclopropylmethyl)-N2-ethyl-6-isobutoxy-pyridine-2,5-diamine N2-(cyclopropylmethyl)-N2-ethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 6.8 -4.74 2 4 0 51 263.385 7 ↓
Lo Low (pH 4.5-6) 3.34 6.22 -15.23 3 4 0 53 264.393 7 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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