| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: (2R,4S,5R)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethyl-piperidin-4-amine (2R,4S,5R)-N-[(1S)-1-(1,3-benzod…
| 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) | 3.17 | 7.98 | -110.12 | 3 | 4 | 2 | 40 | 292.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 7.19 | -37.24 | 2 | 4 | 1 | 35 | 291.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 6.02 | -43.98 | 2 | 4 | 1 | 38 | 291.415 | 3 | ↓ |
