| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 21 | No |
Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[(2-chloro-5-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) | 3.46 | 11.46 | -117.79 | 2 | 5 | 2 | 55 | 315.845 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 7.58 | -4.19 | 0 | 5 | 0 | 52 | 313.829 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 9.01 | -39.92 | 1 | 5 | 1 | 53 | 314.837 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 9.94 | -41.77 | 1 | 5 | 1 | 53 | 314.837 | 8 | ↓ |
