| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 17 | Yes |
Popular Name: N-isopropyl-N-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine N-isopropyl-N-methyl-N'-[(1-meth…
| 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) | 0.90 | 8.14 | -175.91 | 4 | 4 | 3 | 40 | 241.403 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 6.31 | -36.72 | 2 | 4 | 1 | 34 | 239.387 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 6.77 | -72.26 | 3 | 4 | 2 | 36 | 240.395 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 7.68 | -98.18 | 3 | 4 | 2 | 39 | 240.395 | 8 | ↓ |
