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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropylpropane-1,2-diamine (2S)-N1,N2-dicyclopropylpropane-…

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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) 0.94 4.62 -109.15 4 2 2 33 156.273 5 ↓
Hi High (pH 8-9.5) 0.94 3.32 -31.58 3 2 1 29 155.265 5 ↓
Hi High (pH 8-9.5) 0.94 3.44 -34.58 3 2 1 29 155.265 5 ↓

Analogs

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Popular Name: (2R)-N1,N2-dicyclopropylpropane-1,2-diamine (2R)-N1,N2-dicyclopropylpropane-…

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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) 0.94 4.62 -108.98 4 2 2 33 156.273 5 ↓
Hi High (pH 8-9.5) 0.94 3.61 -30.66 3 2 1 29 155.265 5 ↓
Hi High (pH 8-9.5) 0.94 3.45 -29.45 3 2 1 29 155.265 5 ↓

Analogs

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Popular Name: (2S)-N1,N2-dicyclopropyl-N2,3-dimethyl-butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2,3-di…

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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 7.74 -100.21 3 2 2 21 198.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2,3-dimethyl-butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2,3-di…

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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 7.7 -102.07 3 2 2 21 198.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-methyl-propane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-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) 1.19 6.16 -99.15 3 2 2 21 170.3 5 ↓

Analogs

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Popular Name: (2R)-N1,N2-dicyclopropyl-N2-methyl-propane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-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) 1.19 6.23 -101.57 3 2 2 21 170.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-methyl-butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-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) 1.72 7.11 -100.99 3 2 2 21 184.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-methyl-butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-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) 1.72 7.27 -101.57 3 2 2 21 184.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-3-methyl-N2-propyl-butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-3-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) 2.85 8.09 -106.42 3 2 2 21 226.408 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-3-methyl-N2-propyl-butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-3-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) 2.85 8.61 -103.09 3 2 2 21 226.408 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-propyl-propane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-prop…

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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) 2.07 7.76 -101.11 3 2 2 21 198.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-propyl-propane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-prop…

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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) 2.07 7.64 -101.38 3 2 2 21 198.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-propyl-butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-prop…

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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 7.98 -105.14 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.60 6.69 -27.47 2 2 1 16 211.373 8 ↓
Mid Mid (pH 6-8) 2.60 6.57 -31.49 2 2 1 20 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-propyl-butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-prop…

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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 7.97 -107.27 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.60 6.8 -26.52 2 2 1 16 211.373 8 ↓
Mid Mid (pH 6-8) 2.60 6.09 -33.03 2 2 1 20 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-ethyl-3-methyl-butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-ethy…

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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 7.03 -102.15 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-ethyl-3-methyl-butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-ethy…

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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 7.81 -101.83 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-ethyl-propane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-ethy…

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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 7.01 -99.56 3 2 2 21 184.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-ethyl-propane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-ethy…

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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 6.9 -101.2 3 2 2 21 184.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-ethyl-butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-ethy…

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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 7.31 -102.97 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.10 6 -27.63 2 2 1 16 197.346 7 ↓
Mid Mid (pH 6-8) 2.10 5.95 -30.88 2 2 1 20 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-ethyl-butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-ethy…

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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 7.17 -105.67 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.10 6 -26.1 2 2 1 16 197.346 7 ↓
Mid Mid (pH 6-8) 2.10 5.84 -32.24 2 2 1 20 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-(2,2,2-trifluoroethyl)propane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-(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) 2.11 5.02 -39.2 2 2 1 20 237.289 7 ↓
Hi High (pH 8-9.5) 2.11 3.9 -2.35 1 2 0 15 236.281 7 ↓
Mid Mid (pH 6-8) 2.11 7.38 -106.46 3 2 2 21 238.297 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-(2,2,2-trifluoroethyl)propane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-(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) 2.11 5.05 -38.66 2 2 1 20 237.289 7 ↓
Hi High (pH 8-9.5) 2.11 4.56 -1.35 1 2 0 15 236.281 7 ↓
Mid Mid (pH 6-8) 2.11 7.27 -106.87 3 2 2 21 238.297 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-butyl-N1,N2-dicyclopropyl-3-methyl-butane-1,2-diamine (2R)-N2-butyl-N1,N2-dicyclopropy…

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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) 3.41 9.29 -109.09 3 2 2 21 240.435 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-butyl-N1,N2-dicyclopropyl-3-methyl-butane-1,2-diamine (2S)-N2-butyl-N1,N2-dicyclopropy…

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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) 3.41 9.88 -103.91 3 2 2 21 240.435 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-butyl-N1,N2-dicyclopropyl-propane-1,2-diamine (2S)-N2-butyl-N1,N2-dicyclopropy…

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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) 2.63 8.54 -102.5 3 2 2 21 212.381 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-butyl-N1,N2-dicyclopropyl-propane-1,2-diamine (2R)-N2-butyl-N1,N2-dicyclopropy…

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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) 2.63 8.42 -102.66 3 2 2 21 212.381 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-butyl-N1,N2-dicyclopropyl-butane-1,2-diamine (2S)-N2-butyl-N1,N2-dicyclopropy…

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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 8.76 -106.45 3 2 2 21 226.408 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-butyl-N1,N2-dicyclopropyl-butane-1,2-diamine (2R)-N2-butyl-N1,N2-dicyclopropy…

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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 8.75 -108.91 3 2 2 21 226.408 9 ↓

Analogs

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Popular Name: (2R)-N1,N2-dicyclopropyl-N2-isobutyl-3-methyl-butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-isob…

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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 9.55 -97.92 3 2 2 21 240.435 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-isobutyl-3-methyl-butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-isob…

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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 8.39 -106.69 3 2 2 21 240.435 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-isobutyl-propane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-isob…

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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 8.18 -103.1 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-isobutyl-propane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-isob…

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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 8.11 -104.22 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-isobutyl-butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-isob…

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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 8.5 -105.53 3 2 2 21 226.408 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-isobutyl-butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-isob…

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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 8.13 -109.12 3 2 2 21 226.408 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-(2-methoxyethyl)-3-methyl-butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-(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) 1.95 5.52 -32.29 2 3 1 29 241.399 9 ↓
Hi High (pH 8-9.5) 1.95 4.16 -1.2 1 3 0 24 240.391 9 ↓
Mid Mid (pH 6-8) 1.95 7.86 -99.97 3 3 2 30 242.407 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-(2-methoxyethyl)-3-methyl-butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-(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) 1.95 5.52 -36.08 2 3 1 29 241.399 9 ↓
Hi High (pH 8-9.5) 1.95 5.14 -1.75 1 3 0 24 240.391 9 ↓
Mid Mid (pH 6-8) 1.95 7.01 -108.83 3 3 2 30 242.407 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-(2-methoxyethyl)propane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-(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) 1.17 3.8 -34.4 2 3 1 29 213.345 8 ↓
Hi High (pH 8-9.5) 1.17 2.65 -2.31 1 3 0 24 212.337 8 ↓
Mid Mid (pH 6-8) 1.17 6.14 -97.53 3 3 2 30 214.353 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-(2-methoxyethyl)propane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-(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) 1.17 4.46 -30.48 2 3 1 29 213.345 8 ↓
Hi High (pH 8-9.5) 1.17 2.8 -1.19 1 3 0 24 212.337 8 ↓
Mid Mid (pH 6-8) 1.17 5.95 -98.61 3 3 2 30 214.353 8 ↓

Analogs

43969665
43969665
43969667
43969667
43969669
43969669
43969671
43969671
43969856
43969856

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N2-dicyclopropyl-N2-(2-methoxyethyl)butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-N2-(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) 1.71 5 -30.59 2 3 1 29 227.372 9 ↓
Hi High (pH 8-9.5) 1.71 3.76 -1.29 1 3 0 24 226.364 9 ↓
Mid Mid (pH 6-8) 1.71 6.72 -105.04 3 3 2 30 228.38 9 ↓

Analogs

43969665
43969665
43969667
43969667
43969669
43969669
43969671
43969671
43969856
43969856

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-dicyclopropyl-N2-(2-methoxyethyl)butane-1,2-diamine (2R)-N1,N2-dicyclopropyl-N2-(2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.12 -35.73 2 3 1 29 227.372 9 ↓
Hi High (pH 8-9.5) 1.71 4.4 -1.88 1 3 0 24 226.364 9 ↓
Mid Mid (pH 6-8) 1.71 6.54 -108.61 3 3 2 30 228.38 9 ↓

Parameters Provided:

ring.id = 67649
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 = 67649 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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