| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2006 | 21 | 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) | 4.64 | 10.51 | -36.98 | 2 | 2 | 1 | 20 | 281.423 | 0 | ↓ |
| Hi High (pH 8-9.5) | 4.64 | 8.38 | -4.32 | 1 | 2 | 0 | 19 | 280.415 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US3117971; US3250768; US3284300; US3291800; WO1999057124A1 | IBM Patent Data |
