| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2010 | 20 | Yes |
Popular Name: (3S)-3-[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidyl]butanenitrile (3S)-3-[(3S)-3-(1,3-benzoxazol-2…
| 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) | 2.16 | 6.64 | -44.36 | 1 | 4 | 1 | 54 | 270.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 4.72 | -11.46 | 0 | 4 | 0 | 53 | 269.348 | 3 | ↓ |
