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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N'-ethyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-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) 0.82 5.07 -107.11 4 2 2 32 170.3 5 ↓
Hi High (pH 8-9.5) 0.82 3.39 -36.09 3 2 1 31 169.292 5 ↓
Mid Mid (pH 6-8) 0.82 5.01 -28.18 3 2 1 30 169.292 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N'-ethyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-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) 0.82 5.62 -110.24 4 2 2 32 170.3 5 ↓
Hi High (pH 8-9.5) 0.82 3.8 -35.49 3 2 1 31 169.292 5 ↓
Mid Mid (pH 6-8) 0.82 5.36 -30.14 3 2 1 30 169.292 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N'-ethyl-N-methyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-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) 1.73 6.81 -100.77 3 2 2 21 184.327 6 ↓
Hi High (pH 8-9.5) 1.73 4.42 -32.68 2 2 1 20 183.319 6 ↓
Mid Mid (pH 6-8) 1.73 5.23 -29.2 2 2 1 16 183.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N'-ethyl-N-methyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-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) 1.73 6.98 -103.8 3 2 2 21 184.327 6 ↓
Hi High (pH 8-9.5) 1.73 4.35 -33.33 2 2 1 20 183.319 6 ↓
Mid Mid (pH 6-8) 1.73 6.22 -30.43 2 2 1 16 183.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N,N'-diethyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N,N'-die…

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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) 2.10 7.82 -102.91 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.10 6.51 -29.68 2 2 1 16 197.346 7 ↓
Hi High (pH 8-9.5) 2.10 5.26 -30.92 2 2 1 20 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N,N'-diethyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N,N'-die…

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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) 2.10 7.79 -102.57 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.10 6.74 -27.27 2 2 1 16 197.346 7 ↓
Hi High (pH 8-9.5) 2.10 5.13 -31.29 2 2 1 20 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N'-ethyl-N-propyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-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) 2.60 8.22 -103.1 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.60 8.1 -28.1 2 2 1 16 211.373 8 ↓
Hi High (pH 8-9.5) 2.60 6.5 -31.59 2 2 1 20 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N'-ethyl-N-propyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-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) 2.60 8.43 -107.52 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.60 7.64 -27.21 2 2 1 16 211.373 8 ↓
Hi High (pH 8-9.5) 2.60 8.23 -31.52 2 2 1 20 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N'-methyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-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) 0.44 4.41 -106.48 4 2 2 32 156.273 4 ↓
Mid Mid (pH 6-8) 0.44 4.37 -29.08 3 2 1 30 155.265 4 ↓
Mid Mid (pH 6-8) 0.44 2.7 -35.95 3 2 1 31 155.265 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N'-methyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-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) 0.44 4.94 -111.76 4 2 2 32 156.273 4 ↓
Mid Mid (pH 6-8) 0.44 2.93 -35.44 3 2 1 31 155.265 4 ↓
Mid Mid (pH 6-8) 0.44 4.62 -31.64 3 2 1 30 155.265 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N,N'-dimethyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N,N'-dim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.35 6.14 -100.45 3 2 2 21 170.3 5 ↓
Mid Mid (pH 6-8) 1.35 4.95 -30.38 2 2 1 16 169.292 5 ↓
Mid Mid (pH 6-8) 1.35 3.89 -35.97 2 2 1 20 169.292 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N,N'-dimethyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N,N'-dim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.35 6.51 -102.08 3 2 2 21 170.3 5 ↓
Mid Mid (pH 6-8) 1.35 5.3 -28.05 2 2 1 16 169.292 5 ↓
Mid Mid (pH 6-8) 1.35 4.62 -35.55 2 2 1 20 169.292 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N-ethyl-N'-methyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N-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) 1.73 7 -100.96 3 2 2 21 184.327 6 ↓
Hi High (pH 8-9.5) 1.73 5.88 -30.65 2 2 1 16 183.319 6 ↓
Mid Mid (pH 6-8) 1.73 4.81 -34.55 2 2 1 20 183.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N-ethyl-N'-methyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N-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) 1.73 7.35 -102.57 3 2 2 21 184.327 6 ↓
Hi High (pH 8-9.5) 1.73 6.21 -28.3 2 2 1 16 183.319 6 ↓
Mid Mid (pH 6-8) 1.73 5.45 -33.88 2 2 1 20 183.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N'-methyl-N-propyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-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) 2.23 7.75 -102.79 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.23 6.63 -30.83 2 2 1 16 197.346 7 ↓
Mid Mid (pH 6-8) 2.23 5.57 -35.25 2 2 1 20 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N'-methyl-N-propyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-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) 2.23 8.11 -104.33 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.23 6.97 -28.6 2 2 1 16 197.346 7 ↓
Mid Mid (pH 6-8) 2.23 6.21 -34.61 2 2 1 20 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N'-propyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-propy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 6.1 -112.15 4 2 2 32 184.327 6 ↓
Hi High (pH 8-9.5) 1.32 4.16 -36.7 3 2 1 31 183.319 6 ↓
Mid Mid (pH 6-8) 1.32 5.76 -28.62 3 2 1 30 183.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N'-propyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-propy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 6.4 -112.21 4 2 2 32 184.327 6 ↓
Hi High (pH 8-9.5) 1.32 4.65 -35.64 3 2 1 31 183.319 6 ↓
Mid Mid (pH 6-8) 1.32 6.1 -30.63 3 2 1 30 183.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N-methyl-N'-propyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N-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) 2.23 7.73 -105.57 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.23 5.68 -32.59 2 2 1 20 197.346 7 ↓
Mid Mid (pH 6-8) 2.23 6.38 -29.92 2 2 1 16 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N-methyl-N'-propyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N-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) 2.23 7.72 -105.96 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.23 6.07 -31.24 2 2 1 20 197.346 7 ↓
Mid Mid (pH 6-8) 2.23 6.34 -27.05 2 2 1 16 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N-ethyl-N'-propyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N-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) 2.60 8.56 -104.74 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.60 6.44 -31.11 2 2 1 20 211.373 8 ↓
Hi High (pH 8-9.5) 2.60 7.96 -28.78 2 2 1 16 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N-ethyl-N'-propyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N-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) 2.60 8.51 -104.65 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.60 6.92 -29.38 2 2 1 20 211.373 8 ↓
Hi High (pH 8-9.5) 2.60 7.88 -31.19 2 2 1 16 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N,N'-dipropyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N,N'-dip…

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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) 3.11 8.97 -104.94 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 3.11 7.63 -30.72 2 2 1 16 225.4 9 ↓
Hi High (pH 8-9.5) 3.11 6.88 -30.66 2 2 1 20 225.4 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N,N'-dipropyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N,N'-dip…

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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) 3.11 9.17 -109.2 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 3.11 8.35 -27.81 2 2 1 16 225.4 9 ↓
Hi High (pH 8-9.5) 3.11 7.58 -34.3 2 2 1 20 225.4 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-butyl-N',1-dicyclopropyl-ethane-1,2-diamine (1R)-N'-butyl-N',1-dicyclopropyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 6.88 -113.52 4 2 2 32 198.354 7 ↓
Hi High (pH 8-9.5) 1.88 4.94 -36.84 3 2 1 31 197.346 7 ↓
Mid Mid (pH 6-8) 1.88 6.54 -31.39 3 2 1 30 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-butyl-N',1-dicyclopropyl-ethane-1,2-diamine (1S)-N'-butyl-N',1-dicyclopropyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 7.18 -113.46 4 2 2 32 198.354 7 ↓
Hi High (pH 8-9.5) 1.88 5.43 -35.74 3 2 1 31 197.346 7 ↓
Mid Mid (pH 6-8) 1.88 6.75 -28.13 3 2 1 30 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-butyl-N',1-dicyclopropyl-N-methyl-ethane-1,2-diamine (1R)-N'-butyl-N',1-dicyclopropyl…

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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) 2.79 8.52 -107.01 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.79 6.47 -32.72 2 2 1 20 211.373 8 ↓
Mid Mid (pH 6-8) 2.79 7.16 -30.67 2 2 1 16 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-butyl-N',1-dicyclopropyl-N-methyl-ethane-1,2-diamine (1S)-N'-butyl-N',1-dicyclopropyl…

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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) 2.79 8.5 -107.31 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.79 6.85 -31.39 2 2 1 20 211.373 8 ↓
Mid Mid (pH 6-8) 2.79 7.12 -27.58 2 2 1 16 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-butyl-N',1-dicyclopropyl-N-ethyl-ethane-1,2-diamine (1R)-N'-butyl-N',1-dicyclopropyl…

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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) 3.16 9.34 -106.19 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 3.16 7.22 -31.28 2 2 1 20 225.4 9 ↓
Hi High (pH 8-9.5) 3.16 8.75 -29.46 2 2 1 16 225.4 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-butyl-N',1-dicyclopropyl-N-ethyl-ethane-1,2-diamine (1S)-N'-butyl-N',1-dicyclopropyl…

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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) 3.16 9.29 -105.93 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 3.16 7.7 -29.5 2 2 1 20 225.4 9 ↓
Hi High (pH 8-9.5) 3.16 8.66 -31.91 2 2 1 16 225.4 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-(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) 0.43 2.87 -35.05 3 3 1 40 199.318 7 ↓
Mid Mid (pH 6-8) 0.43 4.16 -30.2 3 3 1 40 199.318 7 ↓
Mid Mid (pH 6-8) 0.43 4.5 -107.81 4 3 2 41 200.326 7 ↓

Analogs

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Popular Name: (1S)-N',1-dicyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-(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) 0.43 2.99 -34.73 3 3 1 40 199.318 7 ↓
Mid Mid (pH 6-8) 0.43 4.81 -108.01 4 3 2 41 200.326 7 ↓
Mid Mid (pH 6-8) 0.43 4.38 -27.61 3 3 1 40 199.318 7 ↓

Analogs

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Popular Name: (1R)-N',1-dicyclopropyl-N'-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-(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) 1.34 6.14 -101.65 3 3 2 30 214.353 8 ↓
Mid Mid (pH 6-8) 1.34 5.67 -26.58 2 3 1 26 213.345 8 ↓
Mid Mid (pH 6-8) 1.34 4.37 -31.36 2 3 1 29 213.345 8 ↓

Analogs

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Popular Name: (1S)-N',1-dicyclopropyl-N'-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-(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) 1.34 6.13 -102.39 3 3 2 30 214.353 8 ↓
Mid Mid (pH 6-8) 1.34 5.16 -27.49 2 3 1 26 213.345 8 ↓
Mid Mid (pH 6-8) 1.34 4.4 -30.52 2 3 1 29 213.345 8 ↓

Analogs

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Popular Name: (1R)-N',1-dicyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N-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) 1.71 6.97 -100.74 3 3 2 30 228.38 9 ↓
Hi High (pH 8-9.5) 1.71 6.53 -26.79 2 3 1 26 227.372 9 ↓
Mid Mid (pH 6-8) 1.71 5.22 -29.82 2 3 1 29 227.372 9 ↓

Analogs

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Popular Name: (1S)-N',1-dicyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N-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) 1.71 6.95 -101.28 3 3 2 30 228.38 9 ↓
Hi High (pH 8-9.5) 1.71 6.07 -27.64 2 3 1 26 227.372 9 ↓
Mid Mid (pH 6-8) 1.71 5.21 -28.93 2 3 1 29 227.372 9 ↓

Analogs

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Popular Name: (1R)-N',1-dicyclopropyl-N'-isobutyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-isobu…

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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 6.72 -112.17 4 2 2 32 198.354 6 ↓
Mid Mid (pH 6-8) 1.56 6.42 -27.52 3 2 1 30 197.346 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N'-isobutyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-isobu…

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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 7.07 -112.55 4 2 2 32 198.354 6 ↓
Mid Mid (pH 6-8) 1.56 6.46 -30.25 3 2 1 30 197.346 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N'-isobutyl-N-methyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-isobu…

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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 8.19 -102.49 3 2 2 21 212.381 7 ↓
Hi High (pH 8-9.5) 2.47 6.55 -32.8 2 2 1 20 211.373 7 ↓
Mid Mid (pH 6-8) 2.47 7.02 -29.58 2 2 1 16 211.373 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N'-isobutyl-N-methyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-isobu…

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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 8.4 -105.95 3 2 2 21 212.381 7 ↓
Hi High (pH 8-9.5) 2.47 7.08 -31.77 2 2 1 20 211.373 7 ↓
Mid Mid (pH 6-8) 2.47 7.07 -26.54 2 2 1 16 211.373 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N-ethyl-N'-isobutyl-ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N-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) 2.85 9.18 -104.38 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 2.85 7.31 -31.58 2 2 1 20 225.4 8 ↓
Hi High (pH 8-9.5) 2.85 8.8 -27.25 2 2 1 16 225.4 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N-ethyl-N'-isobutyl-ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N-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) 2.85 9.21 -104.25 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 2.85 7.88 -29.96 2 2 1 20 225.4 8 ↓
Hi High (pH 8-9.5) 2.85 7.93 -27.19 2 2 1 16 225.4 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N'-(2,2,…

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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) 1.37 4.15 -35.84 3 2 1 31 223.262 6 ↓
Lo Low (pH 4.5-6) 1.37 5.82 -112.89 4 2 2 32 224.27 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N'-(2,2,…

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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) 1.37 4.14 -36.94 3 2 1 31 223.262 6 ↓
Lo Low (pH 4.5-6) 1.37 5.83 -119.49 4 2 2 32 224.27 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',1-dicyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (1R)-N',1-dicyclopropyl-N-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 5.24 -33.36 2 2 1 20 237.289 7 ↓
Hi High (pH 8-9.5) 2.28 3.61 -2.14 1 2 0 15 236.281 7 ↓
Lo Low (pH 4.5-6) 2.28 7.07 -112.01 3 2 2 21 238.297 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',1-dicyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (1S)-N',1-dicyclopropyl-N-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 5.81 -31.93 2 2 1 20 237.289 7 ↓
Hi High (pH 8-9.5) 2.28 4.18 -2.06 1 2 0 15 236.281 7 ↓
Lo Low (pH 4.5-6) 2.28 7.31 -107.87 3 2 2 21 238.297 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-[cyclopropyl(methyl)amino]-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-[cyclopropy…

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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 5.3 -37.02 2 3 1 40 194.302 5 ↓
Hi High (pH 8-9.5) 1.21 3.77 -6.42 1 3 0 39 193.294 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-[cyclopropyl(methyl)amino]-2-(methylamino)propanenitrile (2R)-2-cyclopropyl-3-[cyclopropy…

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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 4.72 -33.39 2 3 1 40 194.302 5 ↓
Hi High (pH 8-9.5) 1.21 3.88 -3.3 1 3 0 39 193.294 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-[cyclopropyl(methyl)amino]-2-(isopropylamino)propanenitrile (2S)-2-cyclopropyl-3-[cyclopropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 6.08 -36.77 2 3 1 40 222.356 6 ↓
Hi High (pH 8-9.5) 1.88 4.96 -6.24 1 3 0 39 221.348 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-[cyclopropyl(methyl)amino]-2-(isopropylamino)propanenitrile (2R)-2-cyclopropyl-3-[cyclopropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 7.21 -38.5 2 3 1 40 222.356 6 ↓
Hi High (pH 8-9.5) 1.88 5.22 -2.87 1 3 0 39 221.348 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 243651 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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