In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 23 | Yes |
Popular Name: (2S)-N-cyclohexyl-2-[4-(2-dimethylamino-2-oxo-ethyl)piperazin-1-yl]propanamide (2S)-N-cyclohexyl-2-[4-(2-dimeth…
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) | 0.49 | 4.93 | -38.25 | 2 | 6 | 1 | 57 | 325.477 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.49 | 2.77 | -13.81 | 1 | 6 | 0 | 56 | 324.469 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.49 | 5 | -38.41 | 2 | 6 | 1 | 57 | 325.477 | 5 | ↓ |