| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | Yes |
Popular Name: N-isobutyl-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,3-diamine N-isobutyl-N-[2-(2-methylimidazo…
| 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) | 0.31 | 4.77 | -48.89 | 3 | 4 | 1 | 49 | 239.387 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 6.33 | -46.07 | 3 | 4 | 1 | 48 | 239.387 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 6.58 | -119.78 | 4 | 4 | 2 | 50 | 240.395 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 5.48 | -87.12 | 4 | 4 | 2 | 50 | 240.395 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.31 | 7.19 | -183.71 | 5 | 4 | 3 | 51 | 241.403 | 8 | ↓ |
