| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 18 | Yes |
Popular Name: (3S)-1-[(1S)-2-amino-1-phenyl-ethyl]piperidine-3-carboxamide (3S)-1-[(1S)-2-amino-1-phenyl-et…
| 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) | 0.23 | 2.82 | -124.19 | 6 | 4 | 2 | 75 | 249.358 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | 2.48 | -39.86 | 5 | 4 | 1 | 74 | 248.35 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 0.94 | -48.84 | 5 | 4 | 1 | 74 | 248.35 | 4 | ↓ |
