| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 36 | Yes |
| 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) | 3.01 | 10.15 | -128.78 | 4 | 9 | 1 | 120 | 498.6 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 8.59 | -99.24 | 3 | 9 | 0 | 119 | 497.592 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0885215A1; US6162927 | IBM Patent Data |
