| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 21 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[(4-imidazol-1-ylphenyl)methyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(4-imidaz…
| 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) | 1.94 | 9.4 | -44.49 | 2 | 4 | 1 | 38 | 287.431 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 10.41 | -75.46 | 3 | 4 | 2 | 36 | 288.439 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 9.89 | -40.72 | 2 | 4 | 1 | 34 | 287.431 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 11.66 | -174.17 | 4 | 4 | 3 | 40 | 289.447 | 8 | ↓ |
