| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[(1S)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(1S)-1-(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) | 3.13 | 7.6 | -34.42 | 2 | 3 | 1 | 33 | 278.464 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 9.74 | -182.58 | 4 | 3 | 3 | 35 | 280.48 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 8.66 | -40.32 | 2 | 3 | 1 | 29 | 278.464 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 9.11 | -75.49 | 3 | 3 | 2 | 31 | 279.472 | 7 | ↓ |
