In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 19 | Yes |
Popular Name: (2R)-2-[4-(dimethylamino)-1-piperidyl]-1-piperazin-1-yl-propan-1-one (2R)-2-[4-(dimethylamino)-1-pipe…
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) | -0.26 | 3.77 | -90.09 | 3 | 5 | 2 | 45 | 270.421 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.26 | 2.49 | -38.27 | 2 | 5 | 1 | 40 | 269.413 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.26 | 3.31 | -99.67 | 3 | 5 | 2 | 45 | 270.421 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.26 | 5.92 | -172.38 | 4 | 5 | 3 | 46 | 271.429 | 3 | ↓ |