| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 20 | Yes |
Popular Name: 2-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol 2-[[[2-methyl-2-(4-methylpiperaz…
| 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) | 2.17 | 3.02 | -29.55 | 3 | 4 | 1 | 40 | 278.42 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 2.49 | -36.71 | 3 | 4 | 1 | 43 | 278.42 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 3.27 | -32.69 | 2 | 4 | 0 | 46 | 277.412 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 4.34 | -111.79 | 4 | 4 | 2 | 45 | 279.428 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 4.61 | -90.37 | 4 | 4 | 2 | 45 | 279.428 | 5 | ↓ |
