In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 16 | Yes |
Popular Name: (2S,6R)-2,6-dimethyl-1-[2-[(2S)-2-piperidyl]ethyl]piperidine (2S,6R)-2,6-dimethyl-1-[2-[(2S)-…
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) | 2.86 | 7.81 | -101.23 | 3 | 2 | 2 | 21 | 226.408 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 6.55 | -29.3 | 2 | 2 | 1 | 16 | 225.4 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 5.66 | -36.54 | 2 | 2 | 1 | 20 | 225.4 | 3 | ↓ |