In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 20 | No |
Popular Name: ethyl ethyl
None
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) | 0.78 | 6.77 | -41.36 | 4 | 5 | 1 | 69 | 278.376 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.78 | 4.54 | -6.43 | 3 | 5 | 0 | 68 | 277.368 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.78 | 6.49 | -117.1 | 5 | 5 | 2 | 70 | 279.384 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0427390A2; EP0427390B1; US5981545 | IBM Patent Data |