| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 32 | 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) | 1.60 | 7.85 | -97.68 | 5 | 8 | 0 | 128 | 452.433 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 6.92 | -66.57 | 4 | 8 | -1 | 127 | 451.425 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 5.86 | -52.73 | 6 | 8 | 1 | 125 | 453.441 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6121285 | IBM Patent Data |
