| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 19 | No |
Popular Name: [(2S)-4-hydroxy-2-(octylamino)-4-oxo-butyl]-trimethyl-ammonium [(2S)-4-hydroxy-2-(octylamino)-4…
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) | -0.89 | 11.09 | -33.82 | 2 | 4 | 0 | 57 | 273.441 | 12 | ↓ |
| Hi High (pH 8-9.5) | -0.89 | 11.3 | -39.81 | 1 | 4 | 0 | 52 | 272.433 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999059957A1 | IBM Patent Data |
