| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | Yes |
Popular Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-6-methyl-3-pyridyl]methanamine [2-[(3S,5S)-3,5-dimethyl-1-piper…
| 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) | 1.96 | 6.86 | -100.04 | 4 | 3 | 2 | 45 | 235.375 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 6.37 | -23.49 | 3 | 3 | 1 | 43 | 234.367 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 6.38 | -47.4 | 3 | 3 | 1 | 44 | 234.367 | 2 | ↓ |
