In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R,2R,4S)-4-ethyl-N2-(1-ethyl-4-piperidyl)-N1,N2-dimethyl-cyclohexane-1,2-diamine (1R,2R,4S)-4-ethyl-N2-(1-ethyl-4…
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) | 3.00 | 7.39 | -83.04 | 3 | 3 | 2 | 24 | 283.504 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 7.43 | -112.19 | 3 | 3 | 2 | 24 | 283.504 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.00 | 9.67 | -204.38 | 4 | 3 | 3 | 25 | 284.512 | 5 | ↓ |