In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 15 | Yes |
Popular Name: (1R,2S)-N1-ethyl-N1-(2-methoxyethyl)-N2-methyl-cyclohexane-1,2-diamine (1R,2S)-N1-ethyl-N1-(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) | 1.88 | 3.65 | -29.99 | 2 | 3 | 1 | 29 | 215.361 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 2.85 | -1.27 | 1 | 3 | 0 | 24 | 214.353 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 4.55 | -29.29 | 2 | 3 | 1 | 26 | 215.361 | 6 | ↓ |