In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: 2-[1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclohexyl]acetic 2-[1-[[(2-piperazin-1-ylacetyl)a…
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) | 0.75 | 3.57 | -69.06 | 3 | 6 | 0 | 89 | 297.399 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.75 | 2.2 | -50.27 | 2 | 6 | -1 | 84 | 296.391 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.75 | 1.6 | -45.96 | 4 | 6 | 1 | 86 | 298.407 | 6 | ↓ |