In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1R,2R,4S)-N1,4-diethyl-N2-(1-ethyl-4-piperidyl)-N2-methyl-cyclohexane-1,2-diamine (1R,2R,4S)-N1,4-diethyl-N2-(1-et…
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) | 3.38 | 8.22 | -85.43 | 3 | 3 | 2 | 24 | 297.531 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.38 | 7.91 | -113.96 | 3 | 3 | 2 | 24 | 297.531 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.38 | 10.17 | -200.65 | 4 | 3 | 3 | 25 | 298.539 | 6 | ↓ |