| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 33 | 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) | 6.23 | 12.16 | -10.95 | 2 | 5 | 0 | 69 | 478.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.00 | 12 | -52.34 | 0 | 5 | -1 | 68 | 477.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.00 | 11.64 | -49.98 | 0 | 5 | -1 | 68 | 477.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.23 | 12.97 | -40.74 | 1 | 5 | -1 | 72 | 477.371 | 4 | ↓ |
