| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-1-[4-(4-pyridylmethyl)piperazin-1-yl]propan-1-one (2S)-2-amino-1-[4-(4-pyridylmeth…
| 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) | -1.13 | 1.04 | -48.09 | 3 | 5 | 1 | 64 | 249.338 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.13 | 0.74 | -10.86 | 2 | 5 | 0 | 62 | 248.33 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.13 | 3.26 | -111.93 | 4 | 5 | 2 | 65 | 250.346 | 3 | ↓ |
