In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N-ethyl-2-[(3R)-3-propoxy-1-piperidyl]cycloheptanamine (1S,2R)-N-ethyl-2-[(3R)-3-propox…
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) | 3.65 | 7.25 | -34.75 | 2 | 3 | 1 | 29 | 283.48 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.65 | 6.27 | -0.95 | 1 | 3 | 0 | 24 | 282.472 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.65 | 7.96 | -30.88 | 2 | 3 | 1 | 26 | 283.48 | 6 | ↓ |