| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2008 | 30 | No |
Popular Name: 1-{4-nitrobenzyl}-4-{2-nitro-4,5-dimethoxybenzyl}piperazine 1-{4-nitrobenzyl}-4-{2-nitro-4,5…
| 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) | 2.52 | 10.36 | -60.78 | 1 | 10 | 1 | 118 | 417.442 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 8.09 | -12.87 | 0 | 10 | 0 | 117 | 416.434 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 10.04 | -51.13 | 1 | 10 | 1 | 118 | 417.442 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.