In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 20 | Yes |
Popular Name: 3-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]propanoic 3-[4-[(2,6-dichlorophenyl)methyl…
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) | 2.41 | 7.77 | -43.11 | 1 | 4 | 0 | 48 | 317.216 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 5.5 | -44.92 | 0 | 4 | -1 | 47 | 316.208 | 5 | ↓ |