| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 18 | Yes |
Popular Name: (2S)-N2-methyl-N2-(2-pyridylmethyl)octane-1,2-diamine (2S)-N2-methyl-N2-(2-pyridylmeth…
| 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) | 2.32 | 7.03 | -124.98 | 4 | 3 | 2 | 45 | 251.418 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 5.25 | -47.17 | 3 | 3 | 1 | 44 | 250.41 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 7.44 | -30.09 | 3 | 3 | 1 | 43 | 250.41 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 5.34 | -93.52 | 4 | 3 | 2 | 45 | 251.418 | 9 | ↓ |
