In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 35 | Yes |
Popular Name: 1-[(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-3-(2,4-difluorophenyl)urea 1-[(1S)-2-(4-benzhydrylpiperazin…
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) | 4.45 | 10.48 | -8.07 | 2 | 6 | 0 | 65 | 478.543 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.45 | 12.27 | -45.55 | 3 | 6 | 1 | 66 | 479.551 | 6 | ↓ |