| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 20 | Yes |
Popular Name: (2S)-2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-yl-propan-1-one (2S)-2-[(3S)-3-(diethylamino)pyr…
| 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) | 0.22 | 3.94 | -88.21 | 3 | 5 | 2 | 45 | 284.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.22 | 0.48 | -8.91 | 1 | 5 | 0 | 39 | 282.432 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 2.64 | -34.89 | 2 | 5 | 1 | 40 | 283.44 | 5 | ↓ |
