| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2009 | 36 | 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) | 4.08 | 8.44 | -14.38 | 2 | 7 | 0 | 84 | 489.616 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 11.07 | -45.89 | 3 | 7 | 1 | 85 | 490.624 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 10.73 | -49.53 | 3 | 7 | 1 | 85 | 490.624 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000008202A2; WO2000056709A1 | IBM Patent Data |
