| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 20 | Yes |
Popular Name: (2S)-N-[2-(diisopropylamino)ethyl]-2-piperazin-1-yl-propanamide (2S)-N-[2-(diisopropylamino)ethy…
| 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) | 0.45 | 2.99 | -82.2 | 4 | 5 | 2 | 53 | 286.464 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 1.04 | -46.3 | 3 | 5 | 1 | 52 | 285.456 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 1.64 | -37.51 | 3 | 5 | 1 | 49 | 285.456 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 3.87 | -83.12 | 4 | 5 | 2 | 50 | 286.464 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.45 | 5.27 | -176.13 | 5 | 5 | 3 | 55 | 287.472 | 7 | ↓ |
