In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2009 | 30 | No |
Popular Name: [2-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-oxo-ethyl]sulfanylmethylBLAHone [2-[4-[2-(dimethylamino)acetyl]p…
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) | 0.60 | 8.83 | -58.45 | 2 | 8 | 1 | 91 | 450.61 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.60 | 6.43 | -25.24 | 1 | 8 | 0 | 90 | 449.602 | 6 | ↓ |