In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (1S,2S)-N2-ethyl-N2-(2-methoxyethyl)-N1-propyl-cyclohexane-1,2-diamine (1S,2S)-N2-ethyl-N2-(2-methoxyet…
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) | 2.75 | 5.1 | -31.74 | 2 | 3 | 1 | 29 | 243.415 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 3.52 | -1.92 | 1 | 3 | 0 | 24 | 242.407 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 8.11 | -26.57 | 2 | 3 | 1 | 26 | 243.415 | 8 | ↓ |