| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 21 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[1-(2-pyridyl)-4-piperidyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[1-(2-pyri…
| 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) | 2.43 | 8.23 | -82.96 | 3 | 4 | 2 | 37 | 292.471 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 6.49 | -4.02 | 1 | 4 | 0 | 31 | 290.455 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 8.47 | -37.61 | 2 | 4 | 1 | 33 | 291.463 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 7.91 | -37.43 | 2 | 4 | 1 | 36 | 291.463 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 9.64 | -117.24 | 3 | 4 | 2 | 37 | 292.471 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 9.96 | -176.71 | 4 | 4 | 3 | 38 | 293.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 8.81 | -74.31 | 3 | 4 | 2 | 34 | 292.471 | 7 | ↓ |
