In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: 2-piperazin-1-yl-1-(4-prop-2-ynylpiperazin-1-yl)ethanone 2-piperazin-1-yl-1-(4-prop-2-yny…
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) | -0.96 | 1.22 | -44.09 | 2 | 5 | 1 | 43 | 251.354 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.96 | -0.14 | -9.43 | 1 | 5 | 0 | 39 | 250.346 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.96 | 3.46 | -91.74 | 3 | 5 | 2 | 45 | 252.362 | 3 | ↓ |