In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[(3R)-3-ethoxy-1-piperidyl]-N-methyl-cycloheptanamine (1S,2R)-2-[(3R)-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) | 2.77 | 5.61 | -36.36 | 2 | 3 | 1 | 29 | 255.426 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 4.57 | -1.21 | 1 | 3 | 0 | 24 | 254.418 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 6.27 | -30.68 | 2 | 3 | 1 | 26 | 255.426 | 4 | ↓ |