In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 31 | Yes |
Popular Name: 4-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(2-pyridyl)ethyl]benzamide 4-[(4-benzylpiperazin-1-yl)methy…
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) | 2.86 | 10.54 | -50 | 2 | 5 | 1 | 50 | 415.561 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 10.54 | -52.28 | 2 | 5 | 1 | 50 | 415.561 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 8.28 | -13.73 | 1 | 5 | 0 | 48 | 414.553 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | 10.89 | -86.67 | 3 | 5 | 2 | 51 | 416.569 | 8 | ↓ |