In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 17 | Yes |
Popular Name: N',N'-dimethyl-N-(2-piperazin-1-ylethyl)-N-propyl-ethane-1,2-diamine N',N'-dimethyl-N-(2-piperazin-1-…
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) | 0.58 | 3.2 | -81.8 | 3 | 4 | 2 | 28 | 244.427 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.58 | 0.74 | -37.8 | 2 | 4 | 1 | 26 | 243.419 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.58 | 5.33 | -175.18 | 4 | 4 | 3 | 29 | 245.435 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.58 | 5.47 | -180.55 | 4 | 4 | 3 | 29 | 245.435 | 8 | ↓ |