| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 38 | No |
Popular Name: (4-nitrophenyl)methyl (4-nitrophenyl)methyl
| 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) | 3.08 | 11.87 | -17.88 | 2 | 11 | 0 | 154 | 519.51 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 12.32 | -62.79 | 3 | 11 | 1 | 156 | 520.518 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4144232; US4203896 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
