| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 16 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-(5-methyl-2-pyridyl)propane-1,2-diamine (2S)-N1,N1-diethyl-N2-(5-methyl-…
| 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) | 2.46 | 7.9 | -86.65 | 3 | 3 | 2 | 31 | 223.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 4.96 | -3.94 | 1 | 3 | 0 | 28 | 221.348 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 7.5 | -34.49 | 2 | 3 | 1 | 29 | 222.356 | 6 | ↓ |
