In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-4-[(2S,5R)-5-carbamoyl-2-methyl-1-piperidyl]-2-isopropyl-2-methyl-4-oxo-butanoic (2S)-4-[(2S,5R)-5-carbamoyl-2-me…
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) | 0.75 | 5.06 | -72.47 | 2 | 6 | -1 | 104 | 297.375 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.75 | 3.2 | -18.11 | 3 | 6 | 0 | 101 | 298.383 | 5 | ↓ |