| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (2S)-2-amino-1-[4-(2-pyridylmethyl)piperazin-1-yl]hexan-1-one (2S)-2-amino-1-[4-(2-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) | 0.59 | 3.33 | -47.03 | 3 | 5 | 1 | 64 | 291.419 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 3.03 | -8.36 | 2 | 5 | 0 | 62 | 290.411 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 4.06 | -86.98 | 4 | 5 | 2 | 65 | 292.427 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 5.55 | -104.88 | 4 | 5 | 2 | 65 | 292.427 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.59 | 6.31 | -188.81 | 5 | 5 | 3 | 67 | 293.435 | 6 | ↓ |
