| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1S,2S,4R)-N2-(1-ethyl-4-piperidyl)-N2,4-dimethyl-N1-propyl-cyclohexane-1,2-diamine (1S,2S,4R)-N2-(1-ethyl-4-piperid…
| 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) | 3.20 | 6.99 | -29.17 | 2 | 3 | 1 | 20 | 296.523 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 8.05 | -114.33 | 3 | 3 | 2 | 24 | 297.531 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 9.25 | -95.35 | 3 | 3 | 2 | 21 | 297.531 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.20 | 10.28 | -200.88 | 4 | 3 | 3 | 25 | 298.539 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.20 | 8.44 | -86.38 | 3 | 3 | 2 | 24 | 297.531 | 6 | ↓ |
