| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 30 | 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) | 1.56 | 7.73 | -24.7 | 2 | 9 | 0 | 115 | 449.537 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 6.52 | -53.26 | 1 | 9 | -1 | 121 | 448.529 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 4.47 | -47.69 | 3 | 9 | 1 | 123 | 450.545 | 8 | ↓ |
