| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N1-(1-ethyl-4-piperidyl)-N1,N2-dimethyl-cyclooctane-1,2-diamine (1S,2S)-N1-(1-ethyl-4-piperidyl)…
| 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) | 3.32 | 6.66 | -30.96 | 2 | 3 | 1 | 20 | 282.496 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 7.21 | -107.31 | 3 | 3 | 2 | 24 | 283.504 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 8.22 | -92.44 | 3 | 3 | 2 | 24 | 283.504 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 9.42 | -205.7 | 4 | 3 | 3 | 25 | 284.512 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 8.9 | -96.27 | 3 | 3 | 2 | 21 | 283.504 | 4 | ↓ |
