| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[1-(2,2,2-trifluoroethyl)-4-piperidyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[1-(2,2,2-…
| 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) | 2.56 | 4.82 | -35.68 | 2 | 3 | 1 | 23 | 296.401 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 3.77 | -2.35 | 1 | 3 | 0 | 19 | 295.393 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 6.94 | -112.74 | 3 | 3 | 2 | 24 | 297.409 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 5.78 | -33.19 | 2 | 3 | 1 | 20 | 296.401 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 7.87 | -88.88 | 3 | 3 | 2 | 21 | 297.409 | 8 | ↓ |
