In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 16 | Yes |
Popular Name: (2R)-1-[(2S,6R)-2,6-dimethyl-1-piperidyl]-3-(isopropylamino)propan-2-ol (2R)-1-[(2S,6R)-2,6-dimethyl-1-p…
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) | 1.72 | 4.75 | -96.88 | 4 | 3 | 2 | 41 | 230.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 3.52 | -29.44 | 3 | 3 | 1 | 37 | 229.388 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 2.53 | -37.39 | 3 | 3 | 1 | 40 | 229.388 | 5 | ↓ |