In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 19 | Yes |
Popular Name: 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(isopropylamino)ethanone 1-[4-[2-(dimethylamino)acetyl]pi…
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) | -0.64 | 4.79 | -87.9 | 3 | 6 | 2 | 62 | 272.393 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.64 | 2.39 | -45.31 | 2 | 6 | 1 | 60 | 271.385 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.64 | 3.59 | -43.88 | 2 | 6 | 1 | 57 | 271.385 | 5 | ↓ |