| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 16 | Yes |
Popular Name: (2S)-N-ethyl-N',2-dimethyl-N'-(2-pyridylmethyl)propane-1,3-diamine (2S)-N-ethyl-N',2-dimethyl-N'-(2…
| 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) | 1.13 | 4.75 | -38.76 | 2 | 3 | 1 | 33 | 222.356 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 5.47 | -78.37 | 3 | 3 | 2 | 34 | 223.364 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.13 | 6.8 | -99.52 | 3 | 3 | 2 | 34 | 223.364 | 7 | ↓ |
