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Analogs

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Popular Name: N'-[(1S)-1-(2-fluorophenyl)ethyl]-N'-methyl-N-(m-tolyl)ethane-1,2-diamine N'-[(1S)-1-(2-fluorophenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.32 10.24 -40.25 2 2 1 16 287.402 6 ↓
Hi High (pH 8-9.5) 4.32 8.32 -4.23 1 2 0 15 286.394 6 ↓

Analogs

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Popular Name: N'-[(1R)-1-(2-fluorophenyl)ethyl]-N'-methyl-N-(m-tolyl)ethane-1,2-diamine N'-[(1R)-1-(2-fluorophenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.32 10.3 -40.02 2 2 1 16 287.402 6 ↓
Hi High (pH 8-9.5) 4.32 8.38 -4.16 1 2 0 15 286.394 6 ↓

Analogs

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Popular Name: N'-[(1S)-1-(2-fluorophenyl)ethyl]-N'-methyl-N-(p-tolyl)ethane-1,2-diamine N'-[(1S)-1-(2-fluorophenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.35 10.25 -40.17 2 2 1 16 287.402 6 ↓
Hi High (pH 8-9.5) 4.35 8.33 -4.2 1 2 0 15 286.394 6 ↓

Analogs

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Popular Name: N'-[(1R)-1-(2-fluorophenyl)ethyl]-N'-methyl-N-(p-tolyl)ethane-1,2-diamine N'-[(1R)-1-(2-fluorophenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.35 10.3 -39.95 2 2 1 16 287.402 6 ↓
Hi High (pH 8-9.5) 4.35 8.39 -4.14 1 2 0 15 286.394 6 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N-ethyl-N-phenyl-N'-(phenylmethyl)- 1,2-ethanediamine, N-ethyl-N-phe…

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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) 3.60 9.89 -44.66 2 2 1 20 255.385 7 ↓
Hi High (pH 8-9.5) 3.60 8.54 -3.25 1 2 0 15 254.377 7 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N'-(4-fluorophenyl)-N-methyl-N-(phenylmethyl)- 1,2-ethanediamine, N'-(4-fluorop…

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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 9.05 -45.01 2 2 1 16 259.348 6 ↓
Hi High (pH 8-9.5) 3.39 6.71 -4.39 1 2 0 15 258.34 6 ↓

Analogs

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Popular Name: N-benzyl-N'-(2-bromophenyl)-N-methyl-ethane-1,2-diamine N-benzyl-N'-(2-bromophenyl)-N-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) 3.98 9.69 -41.02 2 2 1 16 320.254 6 ↓
Hi High (pH 8-9.5) 3.98 7.36 -3.3 1 2 0 15 319.246 6 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N'-(2-chlorophenyl)-N-methyl-N-(phenylmethyl)- 1,2-ethanediamine, N'-(2-chlorop…

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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) 3.85 9.57 -40.99 2 2 1 16 275.803 6 ↓
Hi High (pH 8-9.5) 3.85 7.23 -3.35 1 2 0 15 274.795 6 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N-methyl-N'-(3-methylphenyl)-N-(phenylmethyl)- 1,2-ethanediamine, N-methyl-N'-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 9.65 -40.97 2 2 1 16 255.385 6 ↓
Hi High (pH 8-9.5) 3.65 7.3 -3.69 1 2 0 15 254.377 6 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N'-(2-fluorophenyl)-N-methyl-N-(phenylmethyl)- 1,2-ethanediamine, N'-(2-fluorop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 9.07 -41.71 2 2 1 16 259.348 6 ↓
Hi High (pH 8-9.5) 3.34 6.73 -4.05 1 2 0 15 258.34 6 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N'-(3-chlorophenyl)-N-methyl-N-(phenylmethyl)- 1,2-ethanediamine, N'-(3-chlorop…

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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) 3.88 9.49 -43.44 2 2 1 16 275.803 6 ↓
Hi High (pH 8-9.5) 3.88 7.16 -3.49 1 2 0 15 274.795 6 ↓

Analogs

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Popular Name: N-benzyl-N'-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine N-benzyl-N'-(3-fluorophenyl)-N-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) 3.36 9.04 -44.56 2 2 1 16 259.348 6 ↓
Hi High (pH 8-9.5) 3.36 6.71 -4.07 1 2 0 15 258.34 6 ↓

Analogs

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Popular Name: N-benzyl-N'-(3-bromophenyl)-N-methyl-ethane-1,2-diamine N-benzyl-N'-(3-bromophenyl)-N-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) 4.01 9.6 -43.42 2 2 1 16 320.254 6 ↓
Hi High (pH 8-9.5) 4.01 7.26 -3.44 1 2 0 15 319.246 6 ↓

Analogs

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Popular Name: N'-benzyl-N'-methyl-N-(o-tolyl)ethane-1,2-diamine N'-benzyl-N'-methyl-N-(o-tolyl)e…

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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) 3.62 9.78 -41.44 2 2 1 16 255.385 6 ↓
Hi High (pH 8-9.5) 3.62 7.44 -3.7 1 2 0 15 254.377 6 ↓

Analogs

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Popular Name: N-benzyl-N'-(4-bromophenyl)-N-methyl-ethane-1,2-diamine N-benzyl-N'-(4-bromophenyl)-N-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) 4.03 9.6 -44 2 2 1 16 320.254 6 ↓
Hi High (pH 8-9.5) 4.03 7.26 -3.57 1 2 0 15 319.246 6 ↓

Analogs

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Popular Name: N'-benzyl-N-ethyl-N-(o-tolyl)ethane-1,2-diamine N'-benzyl-N-ethyl-N-(o-tolyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 11.08 -42.34 2 2 1 20 269.412 7 ↓
Hi High (pH 8-9.5) 4.00 9.72 -2.54 1 2 0 15 268.404 7 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-methyl-N-(p-tolylmethyl)ethane-1,2-diamine N'-(4-fluorophenyl)-N-methyl-N-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 9.72 -45.07 2 2 1 16 273.375 6 ↓

Analogs

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Popular Name: N-methyl-N'-(m-tolyl)-N-(p-tolylmethyl)ethane-1,2-diamine N-methyl-N'-(m-tolyl)-N-(p-tolyl…

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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) 4.10 10.32 -40.99 2 2 1 16 269.412 6 ↓

Analogs

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Popular Name: N-methyl-N'-(p-tolyl)-N-(p-tolylmethyl)ethane-1,2-diamine N-methyl-N'-(p-tolyl)-N-(p-tolyl…

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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) 4.12 10.33 -40.9 2 2 1 16 269.412 6 ↓

Analogs

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Popular Name: N'-(2-fluorophenyl)-N-methyl-N-(p-tolylmethyl)ethane-1,2-diamine N'-(2-fluorophenyl)-N-methyl-N-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.79 9.74 -41.76 2 2 1 16 273.375 6 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-methyl-N-(p-tolylmethyl)ethane-1,2-diamine N'-(3-fluorophenyl)-N-methyl-N-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 9.72 -44.68 2 2 1 16 273.375 6 ↓

Analogs

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Popular Name: N-methyl-N'-(o-tolyl)-N-(p-tolylmethyl)ethane-1,2-diamine N-methyl-N'-(o-tolyl)-N-(p-tolyl…

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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) 4.07 10.45 -41.49 2 2 1 16 269.412 6 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methyl-ethane-1,2-diamine N'-(4-fluorophenyl)-N-[(3-fluoro…

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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) 3.53 9.12 -49.43 2 2 1 16 277.338 6 ↓
Hi High (pH 8-9.5) 3.53 6.79 -5.44 1 2 0 15 276.33 6 ↓

Analogs

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Popular Name: N'-(2-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methyl-ethane-1,2-diamine N'-(2-chlorophenyl)-N-[(3-fluoro…

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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) 3.99 9.65 -45.24 2 2 1 16 293.793 6 ↓
Hi High (pH 8-9.5) 3.99 7.3 -4.47 1 2 0 15 292.785 6 ↓

Analogs

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Popular Name: N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(m-tolyl)ethane-1,2-diamine N'-[(3-fluorophenyl)methyl]-N'-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) 3.79 9.72 -45.23 2 2 1 16 273.375 6 ↓
Hi High (pH 8-9.5) 3.79 7.38 -4.63 1 2 0 15 272.367 6 ↓

Analogs

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Popular Name: N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(p-tolyl)ethane-1,2-diamine N'-[(3-fluorophenyl)methyl]-N'-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) 3.81 9.73 -45.08 2 2 1 16 273.375 6 ↓
Hi High (pH 8-9.5) 3.81 7.39 -4.57 1 2 0 15 272.367 6 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methyl-ethane-1,2-diamine N'-(4-chlorophenyl)-N-[(3-fluoro…

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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) 4.04 9.56 -48.16 2 2 1 16 293.793 6 ↓
Hi High (pH 8-9.5) 4.04 7.24 -4.73 1 2 0 15 292.785 6 ↓

Analogs

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Popular Name: N'-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methyl-ethane-1,2-diamine N'-(2-fluorophenyl)-N-[(3-fluoro…

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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) 3.48 9.14 -45.99 2 2 1 16 277.338 6 ↓
Hi High (pH 8-9.5) 3.48 6.8 -5.19 1 2 0 15 276.33 6 ↓

Analogs

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Popular Name: N'-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methyl-ethane-1,2-diamine N'-(3-chlorophenyl)-N-[(3-fluoro…

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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) 4.02 9.56 -47.73 2 2 1 16 293.793 6 ↓
Hi High (pH 8-9.5) 4.02 7.24 -4.48 1 2 0 15 292.785 6 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methyl-ethane-1,2-diamine N'-(3-fluorophenyl)-N-[(3-fluoro…

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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) 3.50 9.12 -48.87 2 2 1 16 277.338 6 ↓
Hi High (pH 8-9.5) 3.50 6.78 -5.14 1 2 0 15 276.33 6 ↓

Analogs

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Popular Name: N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(o-tolyl)ethane-1,2-diamine N'-[(3-fluorophenyl)methyl]-N'-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) 3.76 9.85 -45.77 2 2 1 16 273.375 6 ↓
Hi High (pH 8-9.5) 3.76 7.51 -4.85 1 2 0 15 272.367 6 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine N-benzyl-N-ethyl-N'-(4-fluorophe…

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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) 3.76 9.73 -43.5 2 2 1 16 273.375 7 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-N'-(m-tolyl)ethane-1,2-diamine N-benzyl-N-ethyl-N'-(m-tolyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 10.32 -39.32 2 2 1 16 269.412 7 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-N'-(p-tolyl)ethane-1,2-diamine N-benzyl-N-ethyl-N'-(p-tolyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.05 10.33 -39.2 2 2 1 16 269.412 7 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine N-benzyl-N-ethyl-N'-(2-fluorophe…

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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) 3.71 9.75 -40.44 2 2 1 16 273.375 7 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-N'-(3-fluorophenyl)ethane-1,2-diamine N-benzyl-N-ethyl-N'-(3-fluorophe…

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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) 3.74 9.72 -43.23 2 2 1 16 273.375 7 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-N'-(o-tolyl)ethane-1,2-diamine N-benzyl-N-ethyl-N'-(o-tolyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 10.46 -39.73 2 2 1 16 269.412 7 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-N'-(4-fluorophenyl)-N-methyl-ethane-1,2-diamine N-[(3-chlorophenyl)methyl]-N'-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.04 9.57 -48.39 2 2 1 16 293.793 6 ↓
Hi High (pH 8-9.5) 4.04 7.23 -4.78 1 2 0 15 292.785 6 ↓

Analogs

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Popular Name: N'-[(3-chlorophenyl)methyl]-N'-methyl-N-(m-tolyl)ethane-1,2-diamine N'-[(3-chlorophenyl)methyl]-N'-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) 4.30 10.17 -44.28 2 2 1 16 289.83 6 ↓
Hi High (pH 8-9.5) 4.30 7.82 -3.94 1 2 0 15 288.822 6 ↓

Analogs

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Popular Name: N'-[(3-chlorophenyl)methyl]-N'-methyl-N-(p-tolyl)ethane-1,2-diamine N'-[(3-chlorophenyl)methyl]-N'-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) 4.33 10.18 -44.15 2 2 1 16 289.83 6 ↓
Hi High (pH 8-9.5) 4.33 7.84 -3.87 1 2 0 15 288.822 6 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-N'-(2-fluorophenyl)-N-methyl-ethane-1,2-diamine N-[(3-chlorophenyl)methyl]-N'-(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) 3.99 9.59 -45.03 2 2 1 16 293.793 6 ↓
Hi High (pH 8-9.5) 3.99 7.24 -4.46 1 2 0 15 292.785 6 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-N'-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine N-[(3-chlorophenyl)methyl]-N'-(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) 4.02 9.56 -47.93 2 2 1 16 293.793 6 ↓
Hi High (pH 8-9.5) 4.02 7.22 -4.63 1 2 0 15 292.785 6 ↓

Analogs

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Popular Name: N'-[(3-chlorophenyl)methyl]-N'-methyl-N-(o-tolyl)ethane-1,2-diamine N'-[(3-chlorophenyl)methyl]-N'-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) 4.28 10.29 -44.77 2 2 1 16 289.83 6 ↓
Hi High (pH 8-9.5) 4.28 7.95 -4.2 1 2 0 15 288.822 6 ↓

Analogs

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Popular Name: N'-benzyl-N-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine N'-benzyl-N-ethyl-N-(2-fluorophe…

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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) 3.71 10.3 -38.02 2 2 1 20 273.375 7 ↓
Hi High (pH 8-9.5) 3.71 8.94 -3.93 1 2 0 15 272.367 7 ↓

Analogs

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Popular Name: N'-benzyl-N-ethyl-N-(4-fluorophenyl)ethane-1,2-diamine N'-benzyl-N-ethyl-N-(4-fluorophe…

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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) 3.76 9.95 -48.73 2 2 1 20 273.375 7 ↓
Hi High (pH 8-9.5) 3.76 8.61 -4.06 1 2 0 15 272.367 7 ↓

Analogs

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Popular Name: N'-benzyl-N-(3-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-benzyl-N-(3-methoxyphenyl)-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) 3.26 8.25 -47.06 2 3 1 29 271.384 7 ↓
Hi High (pH 8-9.5) 3.26 6.9 -5.11 1 3 0 24 270.376 7 ↓

Analogs

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Popular Name: N'-benzyl-N-methyl-N-(m-tolyl)ethane-1,2-diamine N'-benzyl-N-methyl-N-(m-tolyl)et…

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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) 3.65 9.62 -44.16 2 2 1 20 255.385 6 ↓
Hi High (pH 8-9.5) 3.65 8.27 -3.85 1 2 0 15 254.377 6 ↓

Analogs

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Popular Name: N'-benzyl-N-ethyl-N-(p-tolyl)ethane-1,2-diamine N'-benzyl-N-ethyl-N-(p-tolyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.05 10.56 -44.63 2 2 1 20 269.412 7 ↓
Hi High (pH 8-9.5) 4.05 9.21 -3.28 1 2 0 15 268.404 7 ↓

Analogs

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Popular Name: N'-benzyl-N-(4-fluorophenyl)-N-methyl-ethane-1,2-diamine N'-benzyl-N-(4-fluorophenyl)-N-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) 3.39 9.02 -48.29 2 2 1 20 259.348 6 ↓
Hi High (pH 8-9.5) 3.39 7.67 -4.29 1 2 0 15 258.34 6 ↓

Analogs

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Popular Name: N'-benzyl-N-methyl-N-(p-tolyl)ethane-1,2-diamine N'-benzyl-N-methyl-N-(p-tolyl)et…

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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) 3.67 9.63 -44.17 2 2 1 20 255.385 6 ↓
Hi High (pH 8-9.5) 3.67 8.28 -3.69 1 2 0 15 254.377 6 ↓

Parameters Provided:

ring.id = 11985
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 = 11985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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