In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 37 | Yes |
Popular Name: 1-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-3-(2,6-dimethylphenyl)-1-phenethyl-urea 1-[3-(4-benzylpiperazin-1-yl)-3-…
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) | 4.27 | 15.31 | -13.6 | 1 | 6 | 0 | 56 | 498.671 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.27 | 17.51 | -54.31 | 2 | 6 | 1 | 57 | 499.679 | 9 | ↓ |