| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 16 | Yes |
Popular Name: (1S,2R,4R)-4-ethyl-N2-isopropyl-N2-propyl-cyclohexane-1,2-diamine (1S,2R,4R)-4-ethyl-N2-isopropyl-…
| 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) | 2.85 | 6.99 | -113.56 | 4 | 2 | 2 | 32 | 228.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 4.85 | 0.14 | 2 | 2 | 0 | 29 | 226.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 6.77 | -28.46 | 3 | 2 | 1 | 30 | 227.416 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 5.02 | -37.57 | 3 | 2 | 1 | 31 | 227.416 | 5 | ↓ |
