| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (1S,2S)-N1-(1-ethylpropyl)-N1-(2-methoxyethyl)-N2-methyl-cyclohexane-1,2-diamine (1S,2S)-N1-(1-ethylpropyl)-N1-(2…
| 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) | 3.24 | 7.23 | -97.08 | 3 | 3 | 2 | 30 | 258.45 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.84 | -36.21 | 2 | 3 | 1 | 29 | 257.442 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 4.44 | -0.65 | 1 | 3 | 0 | 24 | 256.434 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.51 | -26.24 | 2 | 3 | 1 | 26 | 257.442 | 8 | ↓ |
