In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 18 | Yes |
Popular Name: 7-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]heptan-1-one 7-amino-1-[4-(2-hydroxyethyl)pip…
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) | -0.22 | -0.08 | -49.7 | 4 | 5 | 1 | 71 | 258.386 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.22 | 2.21 | -90.96 | 5 | 5 | 2 | 73 | 259.394 | 8 | ↓ |