| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 17 | Yes |
Popular Name: (1R,2R,4S)-4-ethyl-N2-methyl-N2-[(1S)-1,2,2-trimethylpropyl]cyclohexane-1,2-diamine (1R,2R,4S)-4-ethyl-N2-methyl-N2-…
| 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) | 3.33 | 6.63 | -117.96 | 4 | 2 | 2 | 32 | 242.451 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 5.42 | -40.13 | 3 | 2 | 1 | 31 | 241.443 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 6.91 | -27.29 | 3 | 2 | 1 | 30 | 241.443 | 4 | ↓ |
