In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1S,2R)-2-[(3S)-3-propoxy-1-piperidyl]-N-propyl-cycloheptanamine (1S,2R)-2-[(3S)-3-propoxy-1-pipe…
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) | 4.15 | 8.02 | -33.27 | 2 | 3 | 1 | 29 | 297.507 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.15 | 6.9 | -1.22 | 1 | 3 | 0 | 24 | 296.499 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.15 | 9.12 | -29.29 | 2 | 3 | 1 | 26 | 297.507 | 7 | ↓ |