| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | Yes |
Popular Name: N-isobutyl-N-[2-(2-pyridyl)ethyl]propane-1,3-diamine N-isobutyl-N-[2-(2-pyridyl)ethyl…
| 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 | 6.39 | -108.96 | 4 | 3 | 2 | 45 | 237.391 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 6 | -34.44 | 3 | 3 | 1 | 43 | 236.383 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 4.72 | -44.45 | 3 | 3 | 1 | 44 | 236.383 | 8 | ↓ |
