| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 19 | Yes |
Popular Name: (2S)-2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]pentan-1-one (2S)-2-amino-1-[4-[2-(dimethylam…
| 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) | -0.79 | 3.5 | -91.94 | 4 | 6 | 2 | 73 | 272.393 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.79 | 1.1 | -49.39 | 3 | 6 | 1 | 71 | 271.385 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.79 | 3.2 | -43.04 | 3 | 6 | 1 | 71 | 271.385 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.79 | 0.81 | -9.89 | 2 | 6 | 0 | 70 | 270.377 | 5 | ↓ |
