| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 17 | No |
| 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) | -1.92 | -0.65 | -37.56 | 1 | 6 | -1 | 112 | 253.211 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.92 | 0.13 | -84.37 | 0 | 6 | -2 | 114 | 252.203 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0413200A1; EP0413200B1; EP0413201B1; US5077395; US5082932; US5192640 | IBM Patent Data |
