| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2006 | 26 | No |
| 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) | -0.85 | 0.6 | -90.51 | 3 | 8 | 0 | 118 | 383.47 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | -0.64 | -87.43 | 2 | 8 | -1 | 113 | 382.462 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5373002 | IBM Patent Data |
