| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 33 | 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) | 4.06 | 7.44 | -23.51 | 2 | 8 | 0 | 112 | 462.531 | 6 | ↓ |
| Ref Reference (pH 7) | 4.06 | 7.36 | -31.7 | 2 | 8 | 0 | 112 | 462.531 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.52 | 5.69 | -57.75 | 1 | 8 | -1 | 115 | 461.523 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.52 | 5.44 | -74.45 | 1 | 8 | -1 | 115 | 461.523 | 6 | ↓ |
