| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2004 | 32 | 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) | 3.83 | 4.77 | -11.54 | 3 | 8 | 0 | 108 | 502.365 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 4.76 | -59.66 | 1 | 8 | -1 | 107 | 501.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 5.77 | -42.91 | 2 | 8 | -1 | 111 | 501.357 | 6 | ↓ |
