| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2006 | 31 | 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) | 7.89 | 17.22 | -9.49 | 0 | 2 | 0 | 16 | 398.509 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 7.89 | 17.54 | -31.58 | 1 | 2 | 1 | 17 | 399.517 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0437310A2; EP0437310B1; US5215842 | IBM Patent Data |
