In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 18 | Yes |
Popular Name: 1-[1-[(6-chloro-3-pyridyl)methyl]-4-piperidyl]-N,N-dimethyl-methanamine 1-[1-[(6-chloro-3-pyridyl)methyl…
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) | 2.33 | 8.88 | -104.3 | 2 | 3 | 2 | 22 | 269.82 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 6.66 | -44.08 | 1 | 3 | 1 | 21 | 268.812 | 4 | ↓ |