| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 41 | 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) | 4.83 | 2.39 | -52.2 | 1 | 12 | -1 | 152 | 561.619 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.83 | 2.53 | -62.92 | 2 | 12 | 0 | 153 | 562.627 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5616599; US5646171 | IBM Patent Data |
