| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 16th, 2010 | 20 | Yes |
Popular Name: 2-[[(5-bromo-2-fluoro-phenyl)methylamino]methyl]-4,6-dichloro-phenol 2-[[(5-bromo-2-fluoro-phenyl)met…
| 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) | 4.79 | 7.17 | -45.74 | 3 | 2 | 1 | 37 | 380.064 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.79 | 6.52 | -35.61 | 1 | 2 | -1 | 35 | 378.048 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.79 | 5.77 | -4.45 | 2 | 2 | 0 | 32 | 379.056 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.79 | 7.93 | -29.58 | 2 | 2 | 0 | 40 | 379.056 | 4 | ↓ |
