| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 30 | 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) | 2.71 | 8.1 | -15.64 | 2 | 8 | 0 | 101 | 446.916 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 6.91 | -52.29 | 1 | 8 | -1 | 103 | 445.908 | 8 | ↓ |
