In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 19 | Yes |
Popular Name: (3S)-1-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]piperidine-3-carboxamide (3S)-1-[(1S)-2-amino-2-oxo-1-phe…
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) | 0.16 | 1.62 | -37.64 | 5 | 5 | 1 | 91 | 262.333 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.16 | -0.26 | -12.46 | 4 | 5 | 0 | 89 | 261.325 | 4 | ↓ |