| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2011 | 19 | Yes |
Popular Name: 2-bromo-4-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]phenol 2-bromo-4-[[2-(4-methylpiperazin…
| 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) | 1.94 | 3.79 | -100.5 | 4 | 4 | 2 | 45 | 330.27 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 1.42 | -48.2 | 3 | 4 | 1 | 43 | 329.262 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 2.18 | -60.49 | 2 | 4 | 0 | 46 | 328.254 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
