In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-(isopropylamino)propan-1-one 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) | -0.36 | 5.4 | -89.62 | 3 | 6 | 2 | 62 | 286.42 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.36 | 3.01 | -48.09 | 2 | 6 | 1 | 60 | 285.412 | 6 | ↓ |