In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 24 | Yes |
Popular Name: (2R,3S,5R,6R)-4-allyl-3,5-dimethyl-2,6-diphenyl-piperidin-1-ium-4-ol (2R,3S,5R,6R)-4-allyl-3,5-dimeth…
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) | 4.96 | 8.58 | -37.87 | 3 | 2 | 1 | 37 | 322.472 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.96 | 7.64 | -4.47 | 2 | 2 | 0 | 32 | 321.464 | 4 | ↓ |