| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | 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) | 2.85 | 8.66 | -12.14 | 2 | 7 | 0 | 96 | 321.358 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 7.59 | -32.24 | 1 | 7 | -1 | 103 | 320.35 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 6.89 | -36.19 | 1 | 7 | -1 | 97 | 320.35 | 5 | ↓ |
