In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | Yes |
Popular Name: 1-[2-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethoxy]phenyl]ethanone 1-[2-[2-[(3S,5R)-3,5-dimethyl-1-…
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) | 3.50 | 10.9 | -33.23 | 1 | 3 | 1 | 31 | 276.4 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 8.66 | -10.06 | 0 | 3 | 0 | 30 | 275.392 | 5 | ↓ |