In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-N-methyl-N-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]piperidine-2-carboxamide (2S)-N-methyl-N-[2-[methyl-(1-me…
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) | 0.79 | 5.46 | -79.13 | 3 | 5 | 2 | 45 | 298.475 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.79 | 4.23 | -41.23 | 2 | 5 | 1 | 40 | 297.467 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.79 | 7.77 | -162.1 | 4 | 5 | 3 | 46 | 299.483 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.79 | 5.36 | -87.48 | 3 | 5 | 2 | 45 | 298.475 | 5 | ↓ |