In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 28th, 2008 | 39 | Yes |
Popular Name: 3-[(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-1-(2,6-diisopropylphenyl)urea 3-[(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) | 5.24 | 14.34 | -9.36 | 2 | 6 | 0 | 65 | 526.725 | 8 | ↓ |
Lo Low (pH 4.5-6) | 5.24 | 15.99 | -44.69 | 3 | 6 | 1 | 66 | 527.733 | 8 | ↓ |