| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: (1S)-1-(benzofuran-2-yl)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanamine (1S)-1-(benzofuran-2-yl)-2-[(3S,…
| 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) | 1.65 | 8.06 | -38.3 | 3 | 3 | 1 | 44 | 273.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 6.46 | -41.42 | 3 | 3 | 1 | 44 | 273.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 8.34 | -129.99 | 4 | 3 | 2 | 45 | 274.408 | 3 | ↓ |
