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Analogs

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Popular Name: (S)-3-furyl(3-pyridyl)methanol (S)-3-furyl(3-pyridyl)methanol

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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 2.03 -7.54 1 3 0 46 175.187 2 ↓
Lo Low (pH 4.5-6) 0.57 2.49 -36.57 2 3 1 48 176.195 2 ↓

Analogs

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Popular Name: (R)-3-furyl(3-pyridyl)methanol (R)-3-furyl(3-pyridyl)methanol

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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 2.03 -7.46 1 3 0 46 175.187 2 ↓
Lo Low (pH 4.5-6) 0.57 2.49 -36.71 2 3 1 48 176.195 2 ↓

Analogs

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Popular Name: 3-(3-furylmethyl)pyridin-4-amine 3-(3-furylmethyl)pyridin-4-amine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.02 3.56 -32.33 3 3 1 53 175.211 2 ↓

Analogs

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Popular Name: (S)-(2-amino-4-methyl-3-pyridyl)-(3-furyl)methanol (S)-(2-amino-4-methyl-3-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) 0.72 2.48 -32.02 4 4 1 74 205.237 2 ↓
Mid Mid (pH 6-8) 0.72 2.03 -7.75 3 4 0 72 204.229 2 ↓

Analogs

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Popular Name: (R)-(2-amino-4-methyl-3-pyridyl)-(3-furyl)methanol (R)-(2-amino-4-methyl-3-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) 0.72 2.53 -32.99 4 4 1 74 205.237 2 ↓
Mid Mid (pH 6-8) 0.72 2.05 -7.42 3 4 0 72 204.229 2 ↓

Analogs

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Popular Name: (R)-(2-amino-5-chloro-3-pyridyl)-(3-furyl)methanol (R)-(2-amino-5-chloro-3-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) 1.16 1.44 -7.11 3 4 0 72 224.647 2 ↓

Analogs

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Popular Name: (S)-(2-amino-5-chloro-3-pyridyl)-(3-furyl)methanol (S)-(2-amino-5-chloro-3-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) 1.16 1.46 -7.07 3 4 0 72 224.647 2 ↓

Analogs

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Popular Name: 3-(3-furylmethyl)pyridin-2-amine 3-(3-furylmethyl)pyridin-2-amine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.38 4.48 -31.08 3 3 1 53 175.211 2 ↓
Mid Mid (pH 6-8) 1.38 4 -6.75 2 3 0 52 174.203 2 ↓

Analogs

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Popular Name: 3-[(S)-amino(3-furyl)methyl]-4-methyl-pyridin-2-amine 3-[(S)-amino(3-furyl)methyl]-4-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) 0.76 2.81 -100.19 6 4 2 81 205.261 2 ↓
Mid Mid (pH 6-8) 0.76 2.35 -43.97 5 4 1 80 204.253 2 ↓
Mid Mid (pH 6-8) 0.76 2.24 -4.8 4 4 0 78 203.245 2 ↓

Analogs

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Popular Name: 3-[(R)-amino(3-furyl)methyl]-4-methyl-pyridin-2-amine 3-[(R)-amino(3-furyl)methyl]-4-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) 0.76 2.4 -100.5 6 4 2 81 205.261 2 ↓
Mid Mid (pH 6-8) 0.76 1.92 -47.18 5 4 1 80 204.253 2 ↓
Mid Mid (pH 6-8) 0.76 2.09 -31.5 5 4 1 79 204.253 2 ↓

Analogs

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Popular Name: 3-[(R)-amino(3-furyl)methyl]-5-chloro-pyridin-2-amine 3-[(R)-amino(3-furyl)methyl]-5-c…

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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 1.54 -5.81 4 4 0 78 223.663 2 ↓
Mid Mid (pH 6-8) 1.21 1.86 -50.59 5 4 1 80 224.671 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-amino(3-furyl)methyl]-5-chloro-pyridin-2-amine 3-[(S)-amino(3-furyl)methyl]-5-c…

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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 1.52 -5.94 4 4 0 78 223.663 2 ↓
Mid Mid (pH 6-8) 1.21 1.85 -50.45 5 4 1 80 224.671 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-amino(3-furyl)methyl]-5-methyl-pyridin-2-amine 3-[(S)-amino(3-furyl)methyl]-5-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.81 2.46 -103.46 6 4 2 81 205.261 2 ↓
Mid Mid (pH 6-8) 0.81 2.13 -31.1 5 4 1 79 204.253 2 ↓
Mid Mid (pH 6-8) 0.81 1.99 -50.09 5 4 1 80 204.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-amino(3-furyl)methyl]-5-methyl-pyridin-2-amine 3-[(R)-amino(3-furyl)methyl]-5-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.81 2.49 -103.42 6 4 2 81 205.261 2 ↓
Mid Mid (pH 6-8) 0.81 1.68 -6.74 4 4 0 78 203.245 2 ↓
Mid Mid (pH 6-8) 0.81 2.15 -29.61 5 4 1 79 204.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-amino(3-furyl)methyl]pyridin-4-amine 3-[(S)-amino(3-furyl)methyl]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) 0.02 0.9 -108.95 6 4 2 81 191.234 2 ↓
Mid Mid (pH 6-8) 0.02 0.57 -33.16 5 4 1 79 190.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-amino(3-furyl)methyl]pyridin-4-amine 3-[(R)-amino(3-furyl)methyl]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) 0.02 0.94 -109.09 6 4 2 81 191.234 2 ↓
Mid Mid (pH 6-8) 0.02 0.61 -31.27 5 4 1 79 190.226 2 ↓

Analogs

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Popular Name: (R)-(5-fluoro-3-pyridyl)-(3-furyl)methanamine (R)-(5-fluoro-3-pyridyl)-(3-fury…

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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 2.19 -5.71 2 3 0 52 192.193 2 ↓
Mid Mid (pH 6-8) 0.92 2.53 -51.88 3 3 1 54 193.201 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-fluoro-3-pyridyl)-(3-furyl)methanamine (S)-(5-fluoro-3-pyridyl)-(3-fury…

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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 2.18 -5.69 2 3 0 52 192.193 2 ↓
Mid Mid (pH 6-8) 0.92 2.52 -51.91 3 3 1 54 193.201 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-amino(3-furyl)methyl]pyridin-2-amine 3-[(S)-amino(3-furyl)methyl]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) 0.38 1.35 -50.2 5 4 1 80 190.226 2 ↓
Mid Mid (pH 6-8) 0.38 1.02 -6.8 4 4 0 78 189.218 2 ↓
Mid Mid (pH 6-8) 0.38 1.5 -30.98 5 4 1 79 190.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-amino(3-furyl)methyl]pyridin-2-amine 3-[(R)-amino(3-furyl)methyl]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) 0.38 1.38 -50.4 5 4 1 80 190.226 2 ↓
Mid Mid (pH 6-8) 0.38 1.04 -6.68 4 4 0 78 189.218 2 ↓
Mid Mid (pH 6-8) 0.38 1.52 -32.16 5 4 1 79 190.226 2 ↓

Analogs

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Popular Name: (S)-3-furyl-(6-methyl-3-pyridyl)methanamine (S)-3-furyl-(6-methyl-3-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) 0.66 3.07 -48.15 3 3 1 54 189.238 2 ↓
Mid Mid (pH 6-8) 0.66 2.73 -6.49 2 3 0 52 188.23 2 ↓
Lo Low (pH 4.5-6) 0.66 3.5 -108.97 4 3 2 55 190.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3-furyl-(6-methyl-3-pyridyl)methanamine (R)-3-furyl-(6-methyl-3-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) 0.66 3.07 -48.11 3 3 1 54 189.238 2 ↓
Mid Mid (pH 6-8) 0.66 2.73 -6.41 2 3 0 52 188.23 2 ↓
Lo Low (pH 4.5-6) 0.66 3.5 -109.04 4 3 2 55 190.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-3-furyl(methylamino)methyl]-4-methyl-pyridin-2-amine 3-[(S)-3-furyl(methylamino)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) 1.13 4.69 -94.09 5 4 2 70 219.288 3 ↓
Hi High (pH 8-9.5) 1.13 3.65 -6.5 3 4 0 64 217.272 3 ↓
Mid Mid (pH 6-8) 1.13 4.11 -28.12 4 4 1 65 218.28 3 ↓

Analogs

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Popular Name: 3-[(R)-3-furyl(methylamino)methyl]-4-methyl-pyridin-2-amine 3-[(R)-3-furyl(methylamino)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) 1.13 4.19 -94.34 5 4 2 70 219.288 3 ↓
Hi High (pH 8-9.5) 1.13 3.6 -5.63 3 4 0 64 217.272 3 ↓
Mid Mid (pH 6-8) 1.13 4.07 -29.49 4 4 1 65 218.28 3 ↓

Analogs

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Popular Name: 5-chloro-3-[(R)-3-furyl(methylamino)methyl]pyridin-2-amine 5-chloro-3-[(R)-3-furyl(methylam…

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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 3.72 -44.39 4 4 1 69 238.698 3 ↓
Mid Mid (pH 6-8) 1.58 2.64 -4.94 3 4 0 64 237.69 3 ↓

Analogs

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Popular Name: 5-chloro-3-[(S)-3-furyl(methylamino)methyl]pyridin-2-amine 5-chloro-3-[(S)-3-furyl(methylam…

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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 3.53 -44.14 4 4 1 69 238.698 3 ↓
Mid Mid (pH 6-8) 1.58 2.53 -4.87 3 4 0 64 237.69 3 ↓

Analogs

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Popular Name: 3-[(S)-3-furyl(methylamino)methyl]-5-methyl-pyridin-2-amine 3-[(S)-3-furyl(methylamino)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) 1.19 4.14 -96.77 5 4 2 70 219.288 3 ↓
Mid Mid (pH 6-8) 1.19 2.81 -5.68 3 4 0 64 217.272 3 ↓
Mid Mid (pH 6-8) 1.19 3.67 -43.81 4 4 1 69 218.28 3 ↓

Analogs

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Popular Name: 3-[(R)-3-furyl(methylamino)methyl]-5-methyl-pyridin-2-amine 3-[(R)-3-furyl(methylamino)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) 1.19 4.35 -96.96 5 4 2 70 219.288 3 ↓
Mid Mid (pH 6-8) 1.19 2.63 -5.72 3 4 0 64 217.272 3 ↓
Mid Mid (pH 6-8) 1.19 3.87 -44.2 4 4 1 69 218.28 3 ↓

Analogs

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Popular Name: 3-[(R)-3-furyl(methylamino)methyl]pyridin-4-amine 3-[(R)-3-furyl(methylamino)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) 0.40 2.78 -102.54 5 4 2 70 205.261 3 ↓
Mid Mid (pH 6-8) 0.40 1.71 -29.3 4 4 1 65 204.253 3 ↓

Analogs

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Popular Name: 3-[(S)-3-furyl(methylamino)methyl]pyridin-4-amine 3-[(S)-3-furyl(methylamino)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) 0.40 2.52 -101.83 5 4 2 70 205.261 3 ↓
Mid Mid (pH 6-8) 0.40 1.58 -31.67 4 4 1 65 204.253 3 ↓

Analogs

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Popular Name: (1R)-1-(5-fluoro-3-pyridyl)-1-(3-furyl)-N-methyl-methanamine (1R)-1-(5-fluoro-3-pyridyl)-1-(3…

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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 4.31 -45.5 2 3 1 43 207.228 3 ↓
Mid Mid (pH 6-8) 1.29 3.17 -4.54 1 3 0 38 206.22 3 ↓

Analogs

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Popular Name: (1S)-1-(5-fluoro-3-pyridyl)-1-(3-furyl)-N-methyl-methanamine (1S)-1-(5-fluoro-3-pyridyl)-1-(3…

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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 4.26 -45.43 2 3 1 43 207.228 3 ↓
Mid Mid (pH 6-8) 1.29 3.09 -4.42 1 3 0 38 206.22 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-3-furyl(methylamino)methyl]pyridin-2-amine 3-[(R)-3-furyl(methylamino)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) 0.76 3.24 -44.34 4 4 1 69 204.253 3 ↓
Mid Mid (pH 6-8) 0.76 2.15 -5.63 3 4 0 64 203.245 3 ↓
Mid Mid (pH 6-8) 0.76 3.71 -97.84 5 4 2 70 205.261 3 ↓

Analogs

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Popular Name: 3-[(S)-3-furyl(methylamino)methyl]pyridin-2-amine 3-[(S)-3-furyl(methylamino)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) 0.76 3.04 -43.9 4 4 1 69 204.253 3 ↓
Mid Mid (pH 6-8) 0.76 2.04 -5.78 3 4 0 64 203.245 3 ↓
Mid Mid (pH 6-8) 0.76 3.52 -97.61 5 4 2 70 205.261 3 ↓

Analogs

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Popular Name: (1S)-1-(3-furyl)-N-methyl-1-(6-methyl-3-pyridyl)methanamine (1S)-1-(3-furyl)-N-methyl-1-(6-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) 1.04 4.8 -42.22 2 3 1 43 203.265 3 ↓
Mid Mid (pH 6-8) 1.04 3.68 -5.73 1 3 0 38 202.257 3 ↓
Lo Low (pH 4.5-6) 1.04 5.23 -101.93 3 3 2 44 204.273 3 ↓

Analogs

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Popular Name: (1R)-1-(3-furyl)-N-methyl-1-(6-methyl-3-pyridyl)methanamine (1R)-1-(3-furyl)-N-methyl-1-(6-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) 1.04 4.85 -42.22 2 3 1 43 203.265 3 ↓
Mid Mid (pH 6-8) 1.04 3.66 -5.45 1 3 0 38 202.257 3 ↓
Lo Low (pH 4.5-6) 1.04 5.28 -102.32 3 3 2 44 204.273 3 ↓

Analogs

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Popular Name: 3-[(R)-ethylamino(3-furyl)methyl]pyridin-4-amine 3-[(R)-ethylamino(3-furyl)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) 0.77 3.61 -101.07 5 4 2 70 219.288 4 ↓
Mid Mid (pH 6-8) 0.77 2.61 -29.27 4 4 1 65 218.28 4 ↓

Analogs

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Popular Name: 3-[(S)-ethylamino(3-furyl)methyl]pyridin-4-amine 3-[(S)-ethylamino(3-furyl)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) 0.77 3.56 -100.95 5 4 2 70 219.288 4 ↓
Mid Mid (pH 6-8) 0.77 2.49 -31.61 4 4 1 65 218.28 4 ↓

Analogs

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Popular Name: N-[(R)-(5-fluoro-3-pyridyl)-(3-furyl)methyl]ethanamine N-[(R)-(5-fluoro-3-pyridyl)-(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) 1.67 5.15 -43.51 2 3 1 43 221.255 4 ↓
Mid Mid (pH 6-8) 1.67 4.07 -5.08 1 3 0 38 220.247 4 ↓

Analogs

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Popular Name: N-[(S)-(5-fluoro-3-pyridyl)-(3-furyl)methyl]ethanamine N-[(S)-(5-fluoro-3-pyridyl)-(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) 1.67 5.15 -43.54 2 3 1 43 221.255 4 ↓
Mid Mid (pH 6-8) 1.67 4.07 -4.2 1 3 0 38 220.247 4 ↓

Analogs

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Popular Name: 3-[(R)-ethylamino(3-furyl)methyl]pyridin-2-amine 3-[(R)-ethylamino(3-furyl)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) 1.13 4.07 -42.09 4 4 1 69 218.28 4 ↓
Hi High (pH 8-9.5) 1.13 3.1 -6.03 3 4 0 64 217.272 4 ↓
Mid Mid (pH 6-8) 1.13 4.54 -96.75 5 4 2 70 219.288 4 ↓

Analogs

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Popular Name: 3-[(S)-ethylamino(3-furyl)methyl]pyridin-2-amine 3-[(S)-ethylamino(3-furyl)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) 1.13 4.03 -41.9 4 4 1 69 218.28 4 ↓
Hi High (pH 8-9.5) 1.13 2.95 -5.52 3 4 0 64 217.272 4 ↓
Mid Mid (pH 6-8) 1.13 4.35 -96.6 5 4 2 70 219.288 4 ↓

Analogs

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Popular Name: N-[(S)-3-furyl-(6-methyl-3-pyridyl)methyl]ethanamine N-[(S)-3-furyl-(6-methyl-3-pyrid…

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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) 1.41 5.69 -40.34 2 3 1 43 217.292 4 ↓
Hi High (pH 8-9.5) 1.41 4.63 -5.21 1 3 0 38 216.284 4 ↓
Lo Low (pH 4.5-6) 1.41 6.12 -99.35 3 3 2 44 218.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-3-furyl-(6-methyl-3-pyridyl)methyl]ethanamine N-[(R)-3-furyl-(6-methyl-3-pyrid…

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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) 1.41 5.68 -40.31 2 3 1 43 217.292 4 ↓
Hi High (pH 8-9.5) 1.41 4.61 -6 1 3 0 38 216.284 4 ↓
Lo Low (pH 4.5-6) 1.41 6.13 -99.4 3 3 2 44 218.3 4 ↓

Parameters Provided:

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