| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 17 | Yes |
Popular Name: 2-[4-[(1S)-3-amino-1-ethyl-propyl]piperazin-1-yl]-N-methyl-acetamide 2-[4-[(1S)-3-amino-1-ethyl-propy…
| 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 | 0.34 | -112.86 | 5 | 5 | 2 | 64 | 244.383 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.22 | -1.88 | -7.63 | 3 | 5 | 0 | 62 | 242.367 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 0.68 | -95.89 | 5 | 5 | 2 | 64 | 244.383 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | -1.5 | -47.65 | 4 | 5 | 1 | 63 | 243.375 | 6 | ↓ |
