| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2009 | 10 | 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) | 0.15 | 3.32 | -98.8 | 4 | 2 | 2 | 32 | 144.262 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.15 | 2.94 | -29.22 | 3 | 2 | 1 | 30 | 143.254 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 1.2 | -40.58 | 3 | 2 | 1 | 31 | 143.254 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0285609A1; EP0285609B1 | IBM Patent Data |
