| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
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) | 1.31 | 1.86 | -9.25 | 2 | 5 | 0 | 71 | 241.25 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 2.32 | -38.77 | 3 | 5 | 1 | 72 | 242.258 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 2.3 | -37.41 | 3 | 5 | 1 | 72 | 242.258 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 2.8 | -79.3 | 4 | 5 | 2 | 74 | 243.266 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0820990A2; US5972968 | IBM Patent Data |
