| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2010 | 18 | No |
Popular Name: N'-[(4-bromo-3-nitro-phenyl)methyl]-N-ethyl-N-methyl-ethane-1,2-diamine N'-[(4-bromo-3-nitro-phenyl)meth…
| 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) | 2.60 | 7.02 | -43.77 | 2 | 5 | 1 | 62 | 317.207 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 4.69 | -7.79 | 1 | 5 | 0 | 61 | 316.199 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 6.06 | -57.21 | 2 | 5 | 1 | 66 | 317.207 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 8.38 | -137.07 | 3 | 5 | 2 | 67 | 318.215 | 7 | ↓ |
