| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 18 | No |
Popular Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-methyl-piperazine 1-[(4-chloro-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) | 2.20 | 6.78 | -46.32 | 1 | 5 | 1 | 53 | 270.74 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 6.71 | -51.53 | 1 | 5 | 1 | 53 | 270.74 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 4.31 | -7.91 | 0 | 5 | 0 | 52 | 269.732 | 3 | ↓ |
