In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 25 | Yes |
Popular Name: 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide 2-(4-benzylpiperazin-1-yl)-N-[(2…
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) | 2.58 | 5.25 | -37.64 | 3 | 5 | 1 | 57 | 340.447 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 3.81 | -45.25 | 1 | 5 | -1 | 59 | 338.431 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 5.32 | -38.32 | 3 | 5 | 1 | 57 | 340.447 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 3.05 | -8.77 | 2 | 5 | 0 | 56 | 339.439 | 6 | ↓ |