| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 21 | Yes |
Popular Name: 2-bromo-6-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol 2-bromo-6-[[[2-methyl-2-(4-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) | 2.72 | 2.93 | -41.37 | 3 | 4 | 1 | 43 | 357.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 6.03 | -60.33 | 3 | 4 | 1 | 47 | 357.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 3.67 | -31 | 2 | 4 | 0 | 46 | 356.308 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 3.52 | -29.55 | 3 | 4 | 1 | 40 | 357.316 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 5.28 | -93.67 | 4 | 4 | 2 | 45 | 358.324 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
