| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 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) | 1.25 | 7.7 | -25.67 | 2 | 8 | 0 | 104 | 449.536 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | 6.63 | -56.46 | 1 | 8 | -1 | 111 | 448.528 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 8.09 | -58.25 | 3 | 8 | 1 | 106 | 450.544 | 9 | ↓ |
