| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 16 | Yes |
Popular Name: [(3S)-1-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidyl]methanamine [(3S)-1-[2-(2-methylimidazol-1-y…
| 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) | -0.31 | 3.94 | -80.81 | 4 | 4 | 2 | 50 | 224.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 5.33 | -46.38 | 3 | 4 | 1 | 48 | 223.344 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 3.47 | -49.57 | 3 | 4 | 1 | 49 | 223.344 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | 6.17 | -174.84 | 5 | 4 | 3 | 51 | 225.36 | 4 | ↓ |
