In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2010 | 16 | Yes |
Popular Name: 2,2-dimethyl-3-oxo-3-(4-propylpiperazin-1-yl)propanenitrile 2,2-dimethyl-3-oxo-3-(4-propylpi…
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) | 1.38 | 3.71 | -13.08 | 0 | 4 | 0 | 47 | 223.32 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 5.93 | -55.96 | 1 | 4 | 1 | 49 | 224.328 | 3 | ↓ |