In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | Yes |
Popular Name: (1R,2R)-2-[(3S)-3-ethoxy-1-piperidyl]-N-ethyl-cyclohexanamine (1R,2R)-2-[(3S)-3-ethoxy-1-piper…
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) | 2.64 | 5.59 | -35.35 | 2 | 3 | 1 | 29 | 255.426 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 4.48 | -0.98 | 1 | 3 | 0 | 24 | 254.418 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 6.28 | -31.21 | 2 | 3 | 1 | 26 | 255.426 | 5 | ↓ |