| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 12 | Yes |
| 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) | -1.19 | 0.76 | -109.57 | 4 | 5 | 2 | 57 | 172.232 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.19 | -2.39 | -9.04 | 2 | 5 | 0 | 48 | 170.216 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.19 | -0.71 | -48 | 3 | 5 | 1 | 52 | 171.224 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0270076A1; EP0270076B1; WO2000008014A1 | IBM Patent Data |
