| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 23 | Yes |
Popular Name: 2-cyanoethyl 2-cyanoethyl
| 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) | 0.80 | 6.36 | -50.16 | 3 | 5 | 1 | 81 | 316.425 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 8.64 | -118.33 | 4 | 5 | 2 | 82 | 317.433 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5767131; WO1994022829A2 | IBM Patent Data |
