| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 16 | Yes |
Popular Name: (1S,2R,4S)-4-ethyl-N2-(1-ethylpropyl)-N2-methyl-cyclohexane-1,2-diamine (1S,2R,4S)-4-ethyl-N2-(1-ethylpr…
| 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) | 3.04 | 7.04 | -105.87 | 4 | 2 | 2 | 32 | 228.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 6.86 | -25.53 | 3 | 2 | 1 | 30 | 227.416 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 5.8 | -38.4 | 3 | 2 | 1 | 31 | 227.416 | 5 | ↓ |
