| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 16 | Yes |
Popular Name: (2R)-N1,N1-diethyl-N2-(4-pyridylmethyl)propane-1,2-diamine (2R)-N1,N1-diethyl-N2-(4-pyridyl…
| 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) | 1.32 | 4.89 | -39.76 | 2 | 3 | 1 | 33 | 222.356 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 3.54 | -3.33 | 1 | 3 | 0 | 28 | 221.348 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 6.93 | -34.95 | 2 | 3 | 1 | 29 | 222.356 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 7.39 | -80.35 | 3 | 3 | 2 | 31 | 223.364 | 7 | ↓ |
