| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 17 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-(3-imidazol-1-ylpropyl)propane-1,2-diamine (2S)-N1,N1-diethyl-N2-(3-imidazo…
| 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) | 1.16 | 7.53 | -90.14 | 3 | 4 | 2 | 39 | 240.395 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 6.24 | -5.81 | 1 | 4 | 0 | 33 | 238.379 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 7.85 | -39.7 | 2 | 4 | 1 | 34 | 239.387 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 8.38 | -77.34 | 3 | 4 | 2 | 36 | 240.395 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 9.62 | -182.28 | 4 | 4 | 3 | 40 | 241.403 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 7.35 | -44.07 | 2 | 4 | 1 | 38 | 239.387 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 9.04 | -122.35 | 3 | 4 | 2 | 39 | 240.395 | 9 | ↓ |
