In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (1S,2R)-N1-ethyl-N2-[(1S)-2-methoxy-1-methyl-ethyl]-N2-methyl-cyclohexane-1,2-diamine (1S,2R)-N1-ethyl-N2-[(1S)-2-meth…
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) | 2.21 | 4.8 | -32.2 | 2 | 3 | 1 | 29 | 229.388 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 3.31 | -1.14 | 1 | 3 | 0 | 24 | 228.38 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 6.41 | -25.63 | 2 | 3 | 1 | 26 | 229.388 | 6 | ↓ |