| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | 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) | 3.75 | 7.89 | -12.8 | 1 | 3 | 0 | 38 | 250.301 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 8.32 | -30.27 | 2 | 3 | 1 | 39 | 251.309 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 8.29 | -30.24 | 2 | 3 | 1 | 39 | 251.309 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0996443A1; US6121260; WO1999001128A1 | IBM Patent Data |
