| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 35 | 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) | 3.58 | 7.32 | -14.21 | 2 | 8 | 0 | 101 | 490.947 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 8.32 | -51.64 | 0 | 8 | -1 | 99 | 489.939 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.92 | -55.5 | 0 | 8 | -1 | 99 | 489.939 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 8.45 | -39.27 | 1 | 8 | -1 | 103 | 489.939 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 8.09 | -51.13 | 1 | 8 | -1 | 103 | 489.939 | 6 | ↓ |
