In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2010 | 25 | Yes |
Popular Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[2-(2-pyridyl)ethyl]benzamide 4-[(4-methylpiperazin-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) | 1.46 | 6.95 | -47.91 | 2 | 5 | 1 | 50 | 339.463 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.46 | 6.82 | -50.14 | 2 | 5 | 1 | 50 | 339.463 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.46 | 4.57 | -13.09 | 1 | 5 | 0 | 48 | 338.455 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.46 | 7.3 | -83.2 | 3 | 5 | 2 | 51 | 340.471 | 6 | ↓ |