| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 12 | 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) | 0.20 | 4.13 | -88.97 | 3 | 3 | 2 | 29 | 174.288 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 4.45 | -42.52 | 2 | 3 | 1 | 32 | 173.28 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 1.93 | -32.04 | 2 | 3 | 1 | 28 | 173.28 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0326916A2 | IBM Patent Data |
