In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2011 | 23 | Yes |
Popular Name: 2-[4-[[(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]methyl]-1-piperidyl]ethanol 2-[4-[[(8-chloro-2,3-dihydro-1,4…
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) | 1.98 | 5.55 | -106.52 | 4 | 5 | 2 | 60 | 342.867 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 4.19 | -36.52 | 3 | 5 | 1 | 55 | 341.859 | 6 | ↓ |