| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 16 | Yes |
Popular Name: (1R,2S)-N1-(1-ethylpropyl)-N1-methyl-cyclooctane-1,2-diamine (1R,2S)-N1-(1-ethylpropyl)-N1-me…
| 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) | 3.36 | 6.34 | -110.25 | 4 | 2 | 2 | 32 | 228.424 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 6.1 | -28.03 | 3 | 2 | 1 | 30 | 227.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 4.53 | -38.69 | 3 | 2 | 1 | 31 | 227.416 | 4 | ↓ |
