| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | No |
Popular Name: 3-[(2-chloro-5-nitro-phenyl)methyl-isobutyl-amino]propanenitrile 3-[(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) | 2.89 | 9.14 | -9.53 | 0 | 5 | 0 | 73 | 295.77 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 10.71 | -54.44 | 1 | 5 | 1 | 74 | 296.778 | 7 | ↓ |
