| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 15 | Yes |
Popular Name: (1S,2R,4S)-4-ethyl-N2-isobutyl-N2-methyl-cyclohexane-1,2-diamine (1S,2R,4S)-4-ethyl-N2-isobutyl-N…
| 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) | 2.42 | 5.84 | -117.01 | 4 | 2 | 2 | 32 | 214.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 5.02 | -40.08 | 3 | 2 | 1 | 31 | 213.389 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 6.5 | -27.63 | 3 | 2 | 1 | 30 | 213.389 | 4 | ↓ |
