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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) 2.72 9.01 -47.03 2 4 1 56 308.423 6 ↓
Hi High (pH 8-9.5) 2.72 7.99 -7.33 1 4 0 51 307.415 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) 2.72 9.06 -47.14 2 4 1 56 308.423 6 ↓
Hi High (pH 8-9.5) 2.72 7.9 -6.9 1 4 0 51 307.415 6 ↓

Analogs

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Popular Name: (1R)-N-[(5-bromo-2-furyl)methyl]-1-(2,5-dimethyl-3-thienyl)ethanamine (1R)-N-[(5-bromo-2-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) 3.68 8.27 -42.42 2 2 1 30 315.256 4 ↓
Hi High (pH 8-9.5) 3.68 7.25 -4.36 1 2 0 25 314.248 4 ↓

Analogs

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Popular Name: (1S)-N-[(5-bromo-2-furyl)methyl]-1-(2,5-dimethyl-3-thienyl)ethanamine (1S)-N-[(5-bromo-2-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) 3.68 8.32 -42.67 2 2 1 30 315.256 4 ↓
Hi High (pH 8-9.5) 3.68 7.16 -4.13 1 2 0 25 314.248 4 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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 8.42 -39.21 2 2 1 30 250.387 4 ↓
Hi High (pH 8-9.5) 2.96 7.43 -5.7 1 2 0 25 249.379 4 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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 8.37 -39.12 2 2 1 30 250.387 4 ↓
Hi High (pH 8-9.5) 2.96 7.24 -5.06 1 2 0 25 249.379 4 ↓

Analogs

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Popular Name: (2R)-1-[2-furylmethyl(3-thienylmethyl)amino]-3-isopropoxy-propan-2-ol (2R)-1-[2-furylmethyl(3-thienylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 6.37 -37.96 2 4 1 47 310.439 9 ↓
Hi High (pH 8-9.5) 2.06 4.33 -6.87 1 4 0 46 309.431 9 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl(3-thienylmethyl)amino]-3-isopropoxy-propan-2-ol (2S)-1-[2-furylmethyl(3-thienylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 7.18 -36.07 2 4 1 47 310.439 9 ↓
Hi High (pH 8-9.5) 2.06 4.25 -7.79 1 4 0 46 309.431 9 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl(3-thienylmethyl)amino]pentan-2-ol (2S)-1-[2-furylmethyl(3-thienylm…

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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) 2.78 6.96 -36.02 2 3 1 38 280.413 8 ↓
Hi High (pH 8-9.5) 2.78 5.15 -6.23 1 3 0 37 279.405 8 ↓

Analogs

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Popular Name: (2R)-1-[2-furylmethyl(3-thienylmethyl)amino]pentan-2-ol (2R)-1-[2-furylmethyl(3-thienylm…

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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) 2.78 6.49 -34.92 2 3 1 38 280.413 8 ↓
Hi High (pH 8-9.5) 2.78 4.95 -3.52 1 3 0 37 279.405 8 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl(3-thienylmethyl)amino]butan-2-ol (2S)-1-[2-furylmethyl(3-thienylm…

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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 6.18 -35.61 2 3 1 38 266.386 7 ↓
Hi High (pH 8-9.5) 2.22 3.93 -4.87 1 3 0 37 265.378 7 ↓

Analogs

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Popular Name: (2R)-1-[2-furylmethyl(3-thienylmethyl)amino]butan-2-ol (2R)-1-[2-furylmethyl(3-thienylm…

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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 6.97 -33.78 2 3 1 38 266.386 7 ↓
Hi High (pH 8-9.5) 2.22 4.27 -5.15 1 3 0 37 265.378 7 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl(3-thienylmethyl)amino]hex-5-en-2-ol (2S)-1-[2-furylmethyl(3-thienylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 7.53 -36.78 2 3 1 38 292.424 9 ↓
Hi High (pH 8-9.5) 2.76 4.59 -5.32 1 3 0 37 291.416 9 ↓

Analogs

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Popular Name: (2R)-1-[2-furylmethyl(3-thienylmethyl)amino]hex-5-en-2-ol (2R)-1-[2-furylmethyl(3-thienylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 7.05 -35.96 2 3 1 38 292.424 9 ↓
Hi High (pH 8-9.5) 2.76 5.38 -6 1 3 0 37 291.416 9 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl(3-thienylmethyl)amino]propan-2-ol (2S)-1-[2-furylmethyl(3-thienylm…

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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) 1.72 5.41 -34.42 2 3 1 38 252.359 6 ↓
Hi High (pH 8-9.5) 1.72 2.96 -5.59 1 3 0 37 251.351 6 ↓

Analogs

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Popular Name: (2R)-1-[2-furylmethyl(3-thienylmethyl)amino]propan-2-ol (2R)-1-[2-furylmethyl(3-thienylm…

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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) 1.72 5.7 -31.7 2 3 1 38 252.359 6 ↓
Hi High (pH 8-9.5) 1.72 3.07 -5.71 1 3 0 37 251.351 6 ↓

Analogs

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Popular Name: (2R)-1-tert-butoxy-3-[2-furylmethyl(3-thienylmethyl)amino]propan-2-ol (2R)-1-tert-butoxy-3-[2-furylmet…

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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 7 -36.16 2 4 1 47 324.466 9 ↓
Hi High (pH 8-9.5) 2.51 4.61 -6.99 1 4 0 46 323.458 9 ↓

Analogs

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Popular Name: (2S)-1-tert-butoxy-3-[2-furylmethyl(3-thienylmethyl)amino]propan-2-ol (2S)-1-tert-butoxy-3-[2-furylmet…

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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 6.28 -36.41 2 4 1 47 324.466 9 ↓
Hi High (pH 8-9.5) 2.51 4.72 -5.35 1 4 0 46 323.458 9 ↓

Analogs

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Popular Name: (2R)-1-allyloxy-3-[2-furylmethyl(3-thienylmethyl)amino]propan-2-ol (2R)-1-allyloxy-3-[2-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) 1.97 6.43 -36.91 2 4 1 47 308.423 10 ↓
Hi High (pH 8-9.5) 1.97 4.16 -7.19 1 4 0 46 307.415 10 ↓

Analogs

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Popular Name: (2S)-1-allyloxy-3-[2-furylmethyl(3-thienylmethyl)amino]propan-2-ol (2S)-1-allyloxy-3-[2-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) 1.97 5.72 -37.15 2 4 1 47 308.423 10 ↓
Hi High (pH 8-9.5) 1.97 4.06 -8.24 1 4 0 46 307.415 10 ↓

Analogs

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Popular Name: [(2R)-3-[2-furylmethyl(3-thienylmethyl)amino]-2-hydroxy-propyl] [(2R)-3-[2-furylmethyl(3-thienyl…

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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 8.09 -41.25 2 5 1 64 338.449 11 ↓
Hi High (pH 8-9.5) 2.33 5.92 -8.61 1 5 0 63 337.441 11 ↓

Analogs

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Popular Name: [(2S)-3-[2-furylmethyl(3-thienylmethyl)amino]-2-hydroxy-propyl] [(2S)-3-[2-furylmethyl(3-thienyl…

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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 8.87 -39.31 2 5 1 64 338.449 11 ↓
Hi High (pH 8-9.5) 2.33 6.03 -7.16 1 5 0 63 337.441 11 ↓

Analogs

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Popular Name: (2R)-1-[2-furylmethyl(3-thienylmethyl)amino]-3-prop-2-ynoxy-propan-2-ol (2R)-1-[2-furylmethyl(3-thienylm…

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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 6.16 -41.22 2 4 1 47 306.407 9 ↓
Hi High (pH 8-9.5) 1.48 4.14 -9.4 1 4 0 46 305.399 9 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl(3-thienylmethyl)amino]-3-prop-2-ynoxy-propan-2-ol (2S)-1-[2-furylmethyl(3-thienylm…

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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 6.97 -39.11 2 4 1 47 306.407 9 ↓
Hi High (pH 8-9.5) 1.48 4.03 -10.33 1 4 0 46 305.399 9 ↓

Analogs

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Popular Name: 1-[2-furylmethyl(3-thienylmethyl)amino]-2-methyl-propan-2-ol 1-[2-furylmethyl(3-thienylmethyl…

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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 7.3 -33.5 2 3 1 38 266.386 6 ↓
Hi High (pH 8-9.5) 2.16 4.67 -4.54 1 3 0 37 265.378 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) 2.31 8 -44.6 1 5 1 53 324.422 10 ↓
Hi High (pH 8-9.5) 2.31 6.32 -10.06 0 5 0 52 323.414 10 ↓

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) 2.94 9.39 -43.14 1 4 1 44 294.396 8 ↓
Hi High (pH 8-9.5) 2.94 7.23 -6.45 0 4 0 43 293.388 8 ↓

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) 2.04 7.86 -43.08 1 5 1 53 310.395 9 ↓
Mid Mid (pH 6-8) 2.04 5.58 -8.39 0 5 0 52 309.387 9 ↓

Analogs

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Popular Name: 1-[5-(difluoromethylsulfanylmethyl)-2-furyl]-N-(3-thienylmethyl)methanamine 1-[5-(difluoromethylsulfanylmeth…

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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 7.74 -45.44 2 2 1 30 290.38 7 ↓
Hi High (pH 8-9.5) 3.03 6.37 -6.14 1 2 0 25 289.372 7 ↓

Analogs

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Popular Name: 1-[5-(methylsulfanylmethyl)-2-furyl]-N-(3-thienylmethyl)methanamine 1-[5-(methylsulfanylmethyl)-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) 2.47 7.36 -44.14 2 2 1 30 254.4 6 ↓
Hi High (pH 8-9.5) 2.47 5.99 -5.96 1 2 0 25 253.392 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) 1.72 6.82 -49.85 2 4 1 56 266.342 6 ↓
Hi High (pH 8-9.5) 1.72 5.46 -6.99 1 4 0 51 265.334 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) 1.81 6.1 -51.82 2 4 1 56 252.315 6 ↓
Mid Mid (pH 6-8) 1.81 4.74 -7.9 1 4 0 51 251.307 6 ↓

Analogs

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Popular Name: (1S)-N-[(5-bromo-2-furyl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(5-bromo-2-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) 3.23 6.66 -42.71 2 2 1 30 287.202 4 ↓
Hi High (pH 8-9.5) 3.23 5.46 -3.27 1 2 0 25 286.194 4 ↓

Analogs

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Popular Name: (1R)-N-[(5-bromo-2-furyl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(5-bromo-2-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) 3.23 6.66 -42.48 2 2 1 30 287.202 4 ↓
Hi High (pH 8-9.5) 3.23 5.53 -3.64 1 2 0 25 286.194 4 ↓

Analogs

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Popular Name: (1S)-N-[(5-chloro-2-furyl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(5-chloro-2-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) 3.10 6.54 -42.74 2 2 1 30 242.751 4 ↓
Hi High (pH 8-9.5) 3.10 5.35 -3.24 1 2 0 25 241.743 4 ↓

Analogs

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Popular Name: (1R)-N-[(5-chloro-2-furyl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(5-chloro-2-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) 3.10 6.54 -42.61 2 2 1 30 242.751 4 ↓
Hi High (pH 8-9.5) 3.10 5.41 -3.59 1 2 0 25 241.743 4 ↓

Analogs

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Popular Name: (1S)-N-[(5-nitro-2-furyl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(5-nitro-2-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) 2.38 5.44 -7.87 1 5 0 71 252.295 5 ↓
Mid Mid (pH 6-8) 2.38 6.63 -54.64 2 5 1 76 253.303 5 ↓

Analogs

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Popular Name: (1R)-N-[(5-nitro-2-furyl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(5-nitro-2-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) 2.38 5.5 -8.01 1 5 0 71 252.295 5 ↓
Mid Mid (pH 6-8) 2.38 6.63 -54.26 2 5 1 76 253.303 5 ↓

Analogs

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Popular Name: (1S)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-1-(3-thienyl)ethanamine (1S)-N-[[5-(difluoromethylsulfan…

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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) 3.59 8.36 -43.07 2 2 1 30 304.407 7 ↓
Hi High (pH 8-9.5) 3.59 7.18 -5.04 1 2 0 25 303.399 7 ↓

Analogs

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Popular Name: (1R)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-1-(3-thienyl)ethanamine (1R)-N-[[5-(difluoromethylsulfan…

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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) 3.59 8.36 -42.96 2 2 1 30 304.407 7 ↓
Hi High (pH 8-9.5) 3.59 7.23 -5.46 1 2 0 25 303.399 7 ↓

Analogs

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Popular Name: (1S)-N-[(5-iodo-2-furyl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(5-iodo-2-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) 3.51 7.13 -42.31 2 2 1 30 334.202 4 ↓
Hi High (pH 8-9.5) 3.51 5.94 -3.03 1 2 0 25 333.194 4 ↓

Analogs

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Popular Name: (1R)-N-[(5-iodo-2-furyl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(5-iodo-2-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) 3.51 7.13 -42.1 2 2 1 30 334.202 4 ↓
Hi High (pH 8-9.5) 3.51 6 -3.41 1 2 0 25 333.194 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) 2.28 7.45 -47.16 2 4 1 56 280.369 6 ↓
Hi High (pH 8-9.5) 2.28 6.32 -7.17 1 4 0 51 279.361 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) 2.28 7.46 -47.19 2 4 1 56 280.369 6 ↓
Hi High (pH 8-9.5) 2.28 6.27 -6.24 1 4 0 51 279.361 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) 2.37 6.73 -49.14 2 4 1 56 266.342 6 ↓
Mid Mid (pH 6-8) 2.37 5.54 -6.49 1 4 0 51 265.334 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) 2.37 6.73 -48.99 2 4 1 56 266.342 6 ↓
Mid Mid (pH 6-8) 2.37 5.59 -6.93 1 4 0 51 265.334 6 ↓

Analogs

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Popular Name: (1S)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1-(3-thienyl)ethanamine (1S)-N-[[5-(methylsulfanylmethyl…

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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 7.98 -41.79 2 2 1 30 268.427 6 ↓
Hi High (pH 8-9.5) 3.03 6.78 -4.88 1 2 0 25 267.419 6 ↓

Analogs

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Popular Name: (1R)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1-(3-thienyl)ethanamine (1R)-N-[[5-(methylsulfanylmethyl…

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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 7.97 -41.72 2 2 1 30 268.427 6 ↓
Hi High (pH 8-9.5) 3.03 6.84 -5.34 1 2 0 25 267.419 6 ↓

Analogs

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Popular Name: (1S)-N-[(5-ethyl-2-furyl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(5-ethyl-2-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) 3.09 7.53 -39.23 2 2 1 30 236.36 5 ↓
Hi High (pH 8-9.5) 3.09 6.4 -4.77 1 2 0 25 235.352 5 ↓

Analogs

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Popular Name: (1R)-N-[(5-ethyl-2-furyl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(5-ethyl-2-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) 3.09 7.53 -39.17 2 2 1 30 236.36 5 ↓
Hi High (pH 8-9.5) 3.09 6.35 -3.95 1 2 0 25 235.352 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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