In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 16 | Yes |
Popular Name: 2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-(2-dimethylaminoethyl)piper…
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) | 0.29 | 3.75 | -78.94 | 2 | 4 | 2 | 15 | 230.4 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.29 | 1.23 | -35.49 | 1 | 4 | 1 | 14 | 229.392 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.29 | 6.14 | -171.19 | 3 | 4 | 3 | 17 | 231.408 | 6 | ↓ |