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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

31238152
31238152

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Popular Name: N-(2-furylmethyl)-6-(2-methoxyethoxy)pyridin-3-amine N-(2-furylmethyl)-6-(2-methoxyet…

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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 2.13 -8.09 1 5 0 57 248.282 7 ↓

Analogs

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Popular Name: 6-(2-methoxyethoxy)-N-[(5-methyl-2-furyl)methyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(5-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) 1.89 2.96 -8.18 1 5 0 57 262.309 7 ↓

Analogs

17296594
17296594

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Popular Name: N-[(5-bromo-2-furyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(5-bromo-2-furyl)methyl]-6-(2…

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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 2.87 -7.99 1 5 0 57 327.178 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(1S)-1-(2-furyl)ethyl]-6-(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) 2.23 2.81 -7.73 1 5 0 57 262.309 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(1R)-1-(2-furyl)ethyl]-6-(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) 2.23 2.81 -7.74 1 5 0 57 262.309 7 ↓

Analogs

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Popular Name: 6-(2-methoxyethoxy)-N-[(1R)-1-(5-methyl-2-furyl)ethyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R)-1-(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) 2.45 3.63 -7.8 1 5 0 57 276.336 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S)-1-(5-methyl-2-furyl)ethyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S)-1-(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) 2.45 3.63 -7.81 1 5 0 57 276.336 7 ↓

Analogs

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Popular Name: N-(furan-2-ylmethyl)-2-methoxypyridin-3-amine N-(furan-2-ylmethyl)-2-methoxypy…

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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) 1.56 2.08 -7.07 1 4 0 47 204.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(5-methyl-2-furyl)methyl]pyridin-3-amine 2-methoxy-N-[(5-methyl-2-furyl)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) 1.78 2.91 -7.22 1 4 0 47 218.256 4 ↓

Analogs

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Popular Name: N-[(5-bromo-2-furyl)methyl]-2-methoxy-pyridin-3-amine N-[(5-bromo-2-furyl)methyl]-2-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) 2.49 2.81 -6.84 1 4 0 47 283.125 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-2-methoxy-pyridin-3-amine N-[(1S)-1-(2-furyl)ethyl]-2-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) 2.12 2.79 -7.15 1 4 0 47 218.256 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-2-methoxy-pyridin-3-amine N-[(1R)-1-(2-furyl)ethyl]-2-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) 2.12 2.79 -7.14 1 4 0 47 218.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 3.61 -7.37 1 4 0 47 232.283 4 ↓

Analogs

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

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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 3.61 -7.4 1 4 0 47 232.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-N-[(5-nitro-2-furyl)methyl]pyridin-3-amine 6-methoxy-N-[(5-nitro-2-furyl)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) 1.86 2.64 -11.58 1 7 0 93 249.226 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-6-methoxy-pyridin-3-amine N-[[5-(difluoromethylsulfanylmet…

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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) 3.07 4.37 -8.03 1 4 0 47 300.33 7 ↓

Analogs

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Popular Name: N-[(5-iodo-2-furyl)methyl]-6-methoxy-pyridin-3-amine N-[(5-iodo-2-furyl)methyl]-6-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) 2.99 3.14 -6.02 1 4 0 47 330.125 4 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 3.44 -8.97 1 6 0 74 276.292 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 2.73 -9.66 1 6 0 74 262.265 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]pyridin-3-amine 6-methoxy-N-[[5-(methylsulfanylm…

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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 3.98 -7.8 1 4 0 47 264.35 6 ↓

Analogs

37785585
37785585

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Popular Name: N-[(5-nitro-2-furyl)methyl]pyridin-3-amine N-[(5-nitro-2-furyl)methyl]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) 1.46 4.18 -10.41 1 6 0 84 219.2 4 ↓
Mid Mid (pH 6-8) 1.46 4.64 -41.75 2 6 1 85 220.208 4 ↓

Analogs

37785594
37785594

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Popular Name: N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]pyridin-3-amine N-[[5-(difluoromethylsulfanylmet…

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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 5.91 -7.23 1 3 0 38 270.304 6 ↓
Mid Mid (pH 6-8) 2.67 6.37 -34.42 2 3 1 39 271.312 6 ↓

Analogs

37785609
37785609

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Popular Name: N-[(5-iodo-2-furyl)methyl]pyridin-3-amine N-[(5-iodo-2-furyl)methyl]pyridi…

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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) 2.59 4.68 -5.2 1 3 0 38 300.099 3 ↓
Mid Mid (pH 6-8) 2.59 5.13 -33.19 2 3 1 39 301.107 3 ↓

Analogs

37785688
37785688

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.36 4.98 -8.03 1 5 0 64 246.266 5 ↓
Mid Mid (pH 6-8) 1.36 5.45 -36.19 2 5 1 66 247.274 5 ↓

Analogs

37785736
37785736

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 4.28 -8.61 1 5 0 64 232.239 5 ↓
Mid Mid (pH 6-8) 1.45 4.75 -37.49 2 5 1 66 233.247 5 ↓

Analogs

37785749
37785749

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Popular Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]pyridin-3-amine N-[[5-(methylsulfanylmethyl)-2-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) 2.11 5.52 -7.1 1 3 0 38 234.324 5 ↓
Mid Mid (pH 6-8) 2.11 5.99 -33.37 2 3 1 39 235.332 5 ↓

Analogs

37785585
37785585

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Popular Name: N4,N4-dimethyl-N3-[(5-nitro-2-furyl)methyl]pyridine-3,4-diamine N4,N4-dimethyl-N3-[(5-nitro-2-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) 1.49 5.81 -41.56 2 7 1 88 263.277 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-N4,N4-dimethyl-pyridine-3,4-diamine N3-[[5-(difluoromethylsulfanylme…

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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) 2.70 7.55 -34.24 2 4 1 43 314.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[(5-iodo-2-furyl)methyl]-N4,N4-dimethyl-pyridine-3,4-diamine N3-[(5-iodo-2-furyl)methyl]-N4,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) 2.62 6.32 -33.25 2 4 1 43 344.176 4 ↓

Analogs

37785688
37785688

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 6.62 -37.24 2 6 1 69 290.343 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 5.92 -38.54 2 6 1 69 276.316 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4,N4-dimethyl-N3-[[5-(methylsulfanylmethyl)-2-furyl]methyl]pyridine-3,4-diamine N4,N4-dimethyl-N3-[[5-(methylsul…

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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 7.17 -33.59 2 4 1 43 278.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N4,N4-dimethyl-N3-[(5-nitro-2-furyl)methyl]pyridine-3,4-diamine 2-methoxy-N4,N4-dimethyl-N3-[(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) 1.67 5.05 -37.63 2 8 1 98 293.303 6 ↓
Mid Mid (pH 6-8) 1.67 4.17 -8.86 1 8 0 96 292.295 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[(5-iodo-2-furyl)methyl]-2-methoxy-N4,N4-dimethyl-pyridine-3,4-diamine N3-[(5-iodo-2-furyl)methyl]-2-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) 2.80 5.55 -30.48 2 5 1 52 374.202 5 ↓
Mid Mid (pH 6-8) 2.80 4.67 -4.62 1 5 0 51 373.194 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N4,N4-dimethyl-N3-[[5-(methylsulfanylmethyl)-2-furyl]methyl]pyridine-3,4-diamine 2-methoxy-N4,N4-dimethyl-N3-[[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) 2.33 6.39 -31.4 2 5 1 52 308.427 7 ↓
Mid Mid (pH 6-8) 2.33 5.52 -6.9 1 5 0 51 307.419 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(5-nitro-2-furyl)methyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(5-nitro-…

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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) 1.75 2.84 -13.28 1 8 0 102 293.279 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-iodo-2-furyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(5-iodo-2-furyl)methyl]-6-(2-…

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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) 2.88 3.34 -7.75 1 5 0 57 374.178 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[[5-(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) 2.40 4.19 -9.44 1 5 0 57 308.403 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(5-nitro-2-furyl)methyl]pyridin-3-amine 2-chloro-N-[(5-nitro-2-furyl)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) 2.26 4.7 -12.92 1 6 0 84 253.645 4 ↓

Analogs

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Popular Name: 2-chloro-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]pyridin-3-amine 2-chloro-N-[[5-(difluoromethylsu…

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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) 3.47 6.43 -9 1 3 0 38 304.749 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(5-iodo-2-furyl)methyl]pyridin-3-amine 2-chloro-N-[(5-iodo-2-furyl)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) 3.39 5.2 -7.22 1 3 0 38 334.544 3 ↓

Analogs

37785688
37785688

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 5.51 -10.18 1 5 0 64 280.711 5 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.8 -10.91 1 5 0 64 266.684 5 ↓

Analogs

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Popular Name: 2-chloro-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]pyridin-3-amine 2-chloro-N-[[5-(methylsulfanylme…

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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 6.05 -8.61 1 3 0 38 268.769 5 ↓

Analogs

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Popular Name: N2,N2-dimethyl-N5-[(5-nitro-2-furyl)methyl]pyridine-2,5-diamine N2,N2-dimethyl-N5-[(5-nitro-2-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) 1.91 6.06 -37.02 2 7 1 88 263.277 5 ↓

Analogs

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Popular Name: N5-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-N2,N2-dimethyl-pyridine-2,5-diamine N5-[[5-(difluoromethylsulfanylme…

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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) 3.12 7.79 -29.78 2 4 1 43 314.381 7 ↓

Analogs

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Popular Name: N5-[(5-iodo-2-furyl)methyl]-N2,N2-dimethyl-pyridine-2,5-diamine N5-[(5-iodo-2-furyl)methyl]-N2,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) 3.03 6.63 -28.52 2 4 1 43 344.176 4 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 6.95 -32.11 2 6 1 69 290.343 6 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 6.22 -33.85 2 6 1 69 276.316 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2,N2-dimethyl-N5-[[5-(methylsulfanylmethyl)-2-furyl]methyl]pyridine-2,5-diamine N2,N2-dimethyl-N5-[[5-(methylsul…

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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) 2.56 7.46 -29.14 2 4 1 43 278.401 6 ↓

Parameters Provided:

ring.id = 129939
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 129939 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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