| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 18 | Yes |
Popular Name: 1-[(3S,5S)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]butan-1-one 1-[(3S,5S)-4-(2-dimethylaminoeth…
| 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) | 1.68 | 6.01 | -41.79 | 1 | 4 | 1 | 28 | 256.414 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 3.56 | -6.82 | 0 | 4 | 0 | 27 | 255.406 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 8.06 | -115.19 | 2 | 4 | 2 | 29 | 257.422 | 5 | ↓ |
