In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 22 | Yes |
Popular Name: (3S,5S)-1-[1-(2-bromobenzyl)piperidin-1-ium-4-yl]-3,5-dimethyl-piperidin-1-ium (3S,5S)-1-[1-(2-bromobenzyl)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) | 4.55 | 12.92 | -99.93 | 2 | 2 | 2 | 9 | 367.375 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.55 | 10.6 | -31.7 | 1 | 2 | 1 | 8 | 366.367 | 3 | ↓ |