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Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-3-methyl-5-nitro-pyridin-2-amine N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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 8.34 -8.16 1 6 0 84 275.308 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-3-methyl-5-nitro-pyridin-2-amine N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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 8.32 -8.08 1 6 0 84 275.308 4 ↓

Analogs

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Popular Name: N2-(3-furylmethyl)-N2,3-dimethyl-pyridine-2,5-diamine N2-(3-furylmethyl)-N2,3-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) 1.51 5.44 -25.72 3 4 1 57 218.28 3 ↓
Mid Mid (pH 6-8) 1.51 5 -7.51 2 4 0 55 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2,3-dimethyl-N2-[(2-methyl-3-furyl)methyl]pyridine-2,5-diamine N2,3-dimethyl-N2-[(2-methyl-3-fu…

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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) 1.74 6.04 -25.67 3 4 1 57 232.307 3 ↓
Mid Mid (pH 6-8) 1.74 5.57 -8.23 2 4 0 55 231.299 3 ↓

Analogs

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Popular Name: N2-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-3-methyl-pyridine-2,5-diamine N2-[(1S)-1-(2,5-dimethyl-3-furyl…

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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) 2.27 5.88 -28.7 4 4 1 65 246.334 3 ↓
Mid Mid (pH 6-8) 2.27 5.52 -7.01 3 4 0 64 245.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-3-methyl-pyridine-2,5-diamine N2-[(1R)-1-(2,5-dimethyl-3-furyl…

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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) 2.27 5.85 -28.64 4 4 1 65 246.334 3 ↓
Mid Mid (pH 6-8) 2.27 5.51 -6.96 3 4 0 64 245.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-3-fluoro-pyridin-2-amine N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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 6.96 -6.51 1 3 0 38 234.274 3 ↓
Lo Low (pH 4.5-6) 2.36 7.31 -34.46 2 3 1 39 235.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-3-fluoro-pyridin-2-amine N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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 6.97 -6.59 1 3 0 38 234.274 3 ↓
Lo Low (pH 4.5-6) 2.36 7.32 -34.52 2 3 1 39 235.282 3 ↓

Analogs

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Popular Name: 6-bromo-N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]pyridin-2-amine 6-bromo-N-[(1R)-1-(2,5-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) 3.39 6.96 -7.6 1 3 0 38 295.18 3 ↓

Analogs

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Popular Name: 6-bromo-N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]pyridin-2-amine 6-bromo-N-[(1S)-1-(2,5-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) 3.39 6.98 -7.62 1 3 0 38 295.18 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-(3-furylmethyl)-N-methyl-pyridin-2-amine 5-(aminomethyl)-N-(3-furylmethyl…

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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) 0.67 4.29 -47.24 3 4 1 57 218.28 4 ↓
Hi High (pH 8-9.5) 0.67 3.88 -6.08 2 4 0 55 217.272 4 ↓
Mid Mid (pH 6-8) 0.67 4.54 -104.05 4 4 2 58 219.288 4 ↓

Analogs

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

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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) 0.62 4.33 -49.93 3 4 1 57 218.28 4 ↓
Hi High (pH 8-9.5) 0.62 4.01 -6.23 2 4 0 55 217.272 4 ↓
Mid Mid (pH 6-8) 0.62 4.81 -103.2 4 4 2 58 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.44 6.06 -99.32 4 4 2 58 247.342 4 ↓
Hi High (pH 8-9.5) 1.44 5.65 -23.84 3 4 1 57 246.334 4 ↓
Hi High (pH 8-9.5) 1.44 5.6 -50.43 3 4 1 57 246.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-(3-furylmethyl)-N2-methyl-pyridine-2,5-diamine N2-(3-furylmethyl)-N2-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) 1.14 4.42 -28.08 3 4 1 57 204.253 3 ↓
Mid Mid (pH 6-8) 1.14 4.16 -6.43 2 4 0 55 203.245 3 ↓

Analogs

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Popular Name: N2-(3-furylmethyl)-6-methoxy-N2-methyl-pyridine-2,5-diamine N2-(3-furylmethyl)-6-methoxy-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) 1.32 2.76 -6.86 2 5 0 65 233.271 4 ↓

Analogs

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Popular Name: 6-ethoxy-N2-(3-furylmethyl)-N2-methyl-pyridine-2,5-diamine 6-ethoxy-N2-(3-furylmethyl)-N2-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) 1.70 3.82 -7.63 2 5 0 65 247.298 5 ↓

Analogs

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Popular Name: N2-(3-furylmethyl)-N2-methyl-pyridine-2,3-diamine N2-(3-furylmethyl)-N2-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) 0.92 4.86 -27.39 3 4 1 57 204.253 3 ↓
Mid Mid (pH 6-8) 0.92 4.38 -6.83 2 4 0 55 203.245 3 ↓

Analogs

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Popular Name: 5-amino-2-[3-furylmethyl(methyl)amino]pyridine-3-carbonitrile 5-amino-2-[3-furylmethyl(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) 0.82 4.58 -8.27 2 5 0 79 228.255 3 ↓

Analogs

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Popular Name: 5-bromo-N2-(3-furylmethyl)-N2-methyl-pyridine-2,3-diamine 5-bromo-N2-(3-furylmethyl)-N2-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) 1.88 4.98 -5.98 2 4 0 55 282.141 3 ↓

Analogs

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Popular Name: 5-amino-2-[3-furylmethyl(methyl)amino]pyridine-3-carboxamide 5-amino-2-[3-furylmethyl(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) -0.11 1.46 -11.53 4 6 0 98 246.27 4 ↓
Lo Low (pH 4.5-6) -0.11 1.92 -34.02 5 6 1 100 247.278 4 ↓

Analogs

42448541
42448541
42449714
42449714

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Popular Name: [2-[3-furylmethyl(methyl)amino]-3-pyridyl]methanol [2-[3-furylmethyl(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) 0.78 4.28 -28.99 2 4 1 51 219.264 4 ↓
Mid Mid (pH 6-8) 0.78 3.81 -7.63 1 4 0 49 218.256 4 ↓

Analogs

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Popular Name: [3-chloro-6-[3-furylmethyl(methyl)amino]-2-pyridyl]methanol [3-chloro-6-[3-furylmethyl(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) 1.91 3.93 -7.89 1 4 0 49 252.701 4 ↓

Analogs

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Popular Name: [2-[3-furylmethyl(methyl)amino]-4,6-dimethyl-3-pyridyl]methanol [2-[3-furylmethyl(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) 1.59 5.46 -25.27 2 4 1 51 247.318 4 ↓

Analogs

42448533
42448533

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Popular Name: [6-[3-furylmethyl(methyl)amino]-3-pyridyl]methanol [6-[3-furylmethyl(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) 0.83 3.83 -30.19 2 4 1 51 219.264 4 ↓
Mid Mid (pH 6-8) 0.83 3.58 -7.91 1 4 0 49 218.256 4 ↓

Analogs

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Popular Name: [5-chloro-6-[3-furylmethyl(methyl)amino]-3-pyridyl]methanol [5-chloro-6-[3-furylmethyl(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) 1.43 4.12 -7.46 1 4 0 49 252.701 4 ↓
Lo Low (pH 4.5-6) 1.43 4.59 -29.53 2 4 1 51 253.709 4 ↓

Analogs

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Popular Name: [2-[3-furylmethyl(methyl)amino]-4-pyridyl]methanol [2-[3-furylmethyl(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) 0.78 3.97 -31.05 2 4 1 51 219.264 4 ↓
Mid Mid (pH 6-8) 0.78 3.59 -8.04 1 4 0 49 218.256 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-(3-furylmethyl)-N-methyl-pyridin-2-amine 3-(chloromethyl)-N-(3-furylmethy…

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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) 2.01 7.75 -6.52 0 3 0 29 236.702 4 ↓
Mid Mid (pH 6-8) 2.01 8.24 -30.34 1 3 1 31 237.71 4 ↓

Analogs

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Popular Name: 5-chloro-6-(chloromethyl)-N-(3-furylmethyl)-N-methyl-pyridin-2-amine 5-chloro-6-(chloromethyl)-N-(3-f…

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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 7.89 -5.76 0 3 0 29 271.147 4 ↓

Analogs

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

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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 9.3 -25.99 1 3 1 31 265.764 4 ↓
Hi High (pH 8-9.5) 2.83 8.85 -7.17 0 3 0 29 264.756 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-N-(3-furylmethyl)-N-methyl-pyridin-2-amine 5-(chloromethyl)-N-(3-furylmethy…

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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) 2.07 7.53 -6.32 0 3 0 29 236.702 4 ↓
Mid Mid (pH 6-8) 2.07 7.78 -31.7 1 3 1 31 237.71 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 8.08 -6.22 0 3 0 29 271.147 4 ↓

Analogs

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Popular Name: 4-(chloromethyl)-N-(3-furylmethyl)-N-methyl-pyridin-2-amine 4-(chloromethyl)-N-(3-furylmethy…

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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) 2.01 7.56 -6.3 0 3 0 29 236.702 4 ↓
Mid Mid (pH 6-8) 2.01 7.93 -31.96 1 3 1 31 237.71 4 ↓

Analogs

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Popular Name: 2-[3-furylmethyl(methyl)amino]pyridine-4-carbonitrile 2-[3-furylmethyl(methyl)amino]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) 1.19 6.66 -7.15 0 4 0 53 213.24 3 ↓

Analogs

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Popular Name: 2-[3-furylmethyl(methyl)amino]pyridine-3-carbothioamide 2-[3-furylmethyl(methyl)amino]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) 1.24 5.64 -13.2 2 4 0 55 247.323 4 ↓
Lo Low (pH 4.5-6) 1.24 6.1 -40.92 3 4 1 57 248.331 4 ↓

Analogs

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Popular Name: 6-[3-furylmethyl(methyl)amino]pyridine-3-carbothioamide 6-[3-furylmethyl(methyl)amino]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) 1.29 5.48 -14 2 4 0 55 247.323 4 ↓
Lo Low (pH 4.5-6) 1.29 5.75 -46.22 3 4 1 57 248.331 4 ↓

Analogs

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Popular Name: 2-[3-furylmethyl(methyl)amino]pyridine-4-carbothioamide 2-[3-furylmethyl(methyl)amino]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) 1.24 5.5 -13.87 2 4 0 55 247.323 4 ↓
Mid Mid (pH 6-8) 1.24 5.88 -45.03 3 4 1 57 248.331 4 ↓

Analogs

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Popular Name: 2-[3-furylmethyl(methyl)amino]pyridine-4-carboxylic 2-[3-furylmethyl(methyl)amino]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) 1.35 7.23 -47.29 1 5 0 71 232.239 4 ↓
Mid Mid (pH 6-8) 1.35 6.84 -48.84 0 5 -1 69 231.231 4 ↓

Analogs

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Popular Name: 5-chloro-6-[3-furylmethyl(methyl)amino]pyridine-3-carboxylic 5-chloro-6-[3-furylmethyl(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) 1.67 7.36 -43.57 0 5 -1 69 265.676 4 ↓
Lo Low (pH 4.5-6) 1.67 7.83 -32.74 1 5 0 71 266.684 4 ↓

Analogs

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Popular Name: 6-[3-furylmethyl(methyl)amino]pyridine-3-carboxylic 6-[3-furylmethyl(methyl)amino]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) 1.06 7.08 -41.88 1 5 0 71 232.239 4 ↓
Mid Mid (pH 6-8) 1.06 6.81 -50.48 0 5 -1 69 231.231 4 ↓

Analogs

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Popular Name: 3-chloro-6-[3-furylmethyl(methyl)amino]pyridine-2-carboxylic 3-chloro-6-[3-furylmethyl(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) 2.14 7.23 -55.1 0 5 -1 69 265.676 4 ↓
Lo Low (pH 4.5-6) 2.14 7.44 -34.93 1 5 0 71 266.684 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[3-furylmethyl(methyl)amino]pyridine-4-carboxylic 2-chloro-6-[3-furylmethyl(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) 2.37 7.25 -44.91 0 5 -1 69 265.676 4 ↓

Analogs

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Popular Name: 6-chloro-N-(3-furylmethyl)-N-methyl-3-nitro-pyridin-2-amine 6-chloro-N-(3-furylmethyl)-N-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) 2.42 7.77 -7.07 0 6 0 75 267.672 4 ↓

Analogs

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Popular Name: 3-bromo-N-(3-furylmethyl)-N-methyl-pyridin-2-amine 3-bromo-N-(3-furylmethyl)-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) 2.25 7 -5.79 0 3 0 29 267.126 3 ↓

Analogs

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Popular Name: 5-bromo-N-(3-furylmethyl)-N-methyl-pyridin-2-amine 5-bromo-N-(3-furylmethyl)-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) 2.46 6.88 -5.16 0 3 0 29 267.126 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(3-furylmethyl)-N-methyl-3-nitro-pyridin-2-amine 5-bromo-N-(3-furylmethyl)-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) 2.35 7.94 -5.76 0 6 0 75 312.123 4 ↓

Analogs

42375727
42375727

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-methyl-N-[(2-methyl-3-furyl)methyl]pyridin-2-amine 5-(aminomethyl)-N-methyl-N-[(2-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) 0.90 4.79 -48.46 3 4 1 57 232.307 4 ↓
Hi High (pH 8-9.5) 0.90 4.39 -7.44 2 4 0 55 231.299 4 ↓
Mid Mid (pH 6-8) 0.90 5.13 -104.78 4 4 2 58 233.315 4 ↓

Analogs

48921692
48921692

Draw Identity 99% 90% 80% 70%

Popular Name: N2-methyl-N2-[(2-methyl-3-furyl)methyl]pyridine-2,5-diamine N2-methyl-N2-[(2-methyl-3-furyl)…

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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) 1.36 4.99 -28.48 3 4 1 57 218.28 3 ↓
Mid Mid (pH 6-8) 1.36 4.67 -7.68 2 4 0 55 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-N2-methyl-N2-[(2-methyl-3-furyl)methyl]pyridine-2,5-diamine 6-methoxy-N2-methyl-N2-[(2-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) 1.54 3.41 -8.15 2 5 0 65 247.298 4 ↓

Analogs

48921676
48921676
48921692
48921692
59972271
59972271

Draw Identity 99% 90% 80% 70%

Popular Name: N2-methyl-N2-[(2-methyl-3-furyl)methyl]pyridine-2,3-diamine N2-methyl-N2-[(2-methyl-3-furyl)…

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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) 1.14 5.57 -27.99 3 4 1 57 218.28 3 ↓
Mid Mid (pH 6-8) 1.14 5.13 -7.06 2 4 0 55 217.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[methyl-[(2-methyl-3-furyl)methyl]amino]pyridine-3-carbonitrile 5-amino-2-[methyl-[(2-methyl-3-f…

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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) 1.04 5.33 -8.74 2 5 0 79 242.282 3 ↓

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