| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2005 | 23 | 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) | 3.52 | 11.6 | -36.53 | 1 | 3 | 1 | 25 | 309.433 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 9.31 | -10.39 | 0 | 3 | 0 | 24 | 308.425 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0273401A1; EP0273401B1; US4849441 | IBM Patent Data |
